Geometry & MOs

Info

ID:	187855
PubChem CID:	77635495
Reduced:	NO4C21H31 (1)
Stoich.:	AB4C21D31 (1)
Weight, g/mol:	347.246044
ΔH_f, kcal/mol:	-202.27
Dipole, Da:	4.2
IP(EA), eV:	-9.38(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCC3C(C1CC(C2)CC(=O)O)C(CC4C3(C=CC(=O)N4C)C)O

DOS

IR

Vibrations