Geometry & MOs

Info

ID:	151127
PubChem CID:	53790825
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	393.266779
ΔH_f, kcal/mol:	-40.41
Dipole, Da:	1.22
IP(EA), eV:	-8.22(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,3bS,4R,9aR,9bS,11aR)-4,6,9a,11a-tetramethyl-2-phenoxy-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

C1CN(CCN1)CCCOC2=CC=CC3=C2C=CC=C3O

DOS

IR

Vibrations