Geometry & MOs

Info

ID:	147239
PubChem CID:	53786893
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	-44.6
Dipole, Da:	5.07
IP(EA), eV:	-8.88(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS,10bR)-4,7,8,10b-tetramethyl-2,4a,5,6,6a,7,8,9-octahydro-1H-benzo[f]quinolin-3-one

Drug info:

PubChemData

Smile

CC1CC=C2[C@@H](C1C)CCC3[C@]2(CCC(=O)N3C)C

DOS

IR

Vibrations