Geometry & MOs

Info

ID:	187857
PubChem CID:	77635497
Reduced:	FNO2C26H32 (1)
Stoich.:	ABC2D26E32 (1)
Weight, g/mol:	380.282764
ΔH_f, kcal/mol:	-114.61
Dipole, Da:	5.12
IP(EA), eV:	-9.28(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,9a,11a-trimethyl-5-[1-(1H-pyrrol-2-yl)ethylidene]-2,3,3a,3b,4,5a,7,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-ol

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2O)CC(=CC4=CC(=CC=C4)F)C5C3(C=CC(=O)N5C)C

DOS

IR

Vibrations