Geometry & MOs

Info

ID:	25222
PubChem CID:	620982
Reduced:	ClOH15C16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	7.94
Dipole, Da:	3.05
IP(EA), eV:	-8.78(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,4a,6,7,8,9,10,11,11b,12,13a-tetradecahydroisoquinolino[2,1-a]quinolin-13-one

Drug info:

PubChemData

Smile

C=CCOC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations