Geometry & MOs

Info

ID:	440664
PubChem CID:	135230858
Reduced:	FN2O2H21C27 (1)
Stoich.:	AB2C2D21E27 (1)
Weight, g/mol:	496.264983
ΔH_f, kcal/mol:	-32.86
Dipole, Da:	5.33
IP(EA), eV:	-8.4(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methoxyphenyl]-N-methylazetidine-3-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1CC2=C([C@@H]3N1C4=CC=CC=C4C5=C3C(=CC(=C5)/C=C/C(=O)O)F)NC6=CC=CC=C26

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1CC2=C([C@@H]3N1C4=CC=CC=C4C5=C3C(=CC(=C5)/C=C/C(=O)O)F)NC6=CC=CC=C26

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):