Geometry & MOs

Info

ID:	187852
PubChem CID:	77635028
Reduced:	FO3N4H17C22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	461.254164
ΔH_f, kcal/mol:	-26.96
Dipole, Da:	5.19
IP(EA), eV:	-9.56(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-6,9a,11a-trimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=NC2=O)C(=O)NCC3=CC(=NC=C3)OCC4=CC=C(C=C4)F)C=C1

DOS

IR

Vibrations