Geometry & MOs

Info

ID:	440658
PubChem CID:	135230834
Reduced:	N2F4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	485.229012
ΔH_f, kcal/mol:	-138.9
Dipole, Da:	4.51
IP(EA), eV:	-8.22(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-3-methylazetidine-3-carboxylic acid

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=C/C1=CC(=C(C(=C1)F)C2C3=C(CCN2CC(C)(F)F)C4=CC=CC=C4N3)F

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=C/C1=CC(=C(C(=C1)F)C2C3=C(CCN2CC(C)(F)F)C4=CC=CC=C4N3)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):