Geometry & MOs

Info

ID:	375895
PubChem CID:	134221889
Reduced:	FNO5C34H38 (1)
Stoich.:	ABC5D34E38 (1)
Weight, g/mol:	471.220972
ΔH_f, kcal/mol:	-247.56
Dipole, Da:	10.27
IP(EA), eV:	-8.55(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-dimethylbenzoyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methyl-2,3-dihydroindol-5-yl]acetaldehyde

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

CC1=C(C=C(C=C1)C(=O)N2CCC3=C2C=C(C(=C3C4=CC(=C5C(=C4C)CCCO5)F)[C@@H](C(=O)O)OC(C)(C)C)C)C

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

CC1=C(C=C(C=C1)C(=O)N2CCC3=C2C=C(C(=C3C4=CC(=C5C(=C4C)CCCO5)F)[C@@H](C(=O)O)OC(C)(C)C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):