Geometry & MOs

Info

ID:	30947
PubChem CID:	853871
Reduced:	ClNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	-60.14
Dipole, Da:	2.57
IP(EA), eV:	-8.91(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11bS)-1,2,3,4,6,7,11b,12-octahydroisoquinolino[2,1-a]quinolin-13-one

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)Cl)C

DOS

IR

Vibrations