Geometry & MOs

Info

ID:	187854
PubChem CID:	77635494
Reduced:	N2O2C25H38 (1)
Stoich.:	A2B2C25D38 (1)
Weight, g/mol:	361.225308
ΔH_f, kcal/mol:	-46.36
Dipole, Da:	5.11
IP(EA), eV:	-8.72(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-2-yl)acetic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2O)CC(=C4CCN(CC4)C)C5C3(C=CC(=O)N5C)C

DOS

IR

Vibrations