Geometry & MOs

Info

ID:	337118
PubChem CID:	127256683
Reduced:	NOCl2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-44.09
Dipole, Da:	1.33
IP(EA), eV:	-9.16(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,9aR)-4-(4-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one

Drug info:

PubChemData

Smile

C1C[C@H](CN2[C@@H]1CC(=O)CC2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations