Geometry & MOs

Info

ID:	436204
PubChem CID:	135194835
Reduced:	OPN4C17H17 (1)
Stoich.:	ABC4D17E17 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	128.13
Dipole, Da:	5.53
IP(EA), eV:	-9.17(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2'-[(2-methylpyridin-4-yl)methyl]-8'a-phenylspiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydroisoquinoline]-1'-one

Drug info:

PubChemData

Smile

CC1(C2=CCN(C(=N)[C@@]2(C=C(C1=O)C#N)P)C3=CN=CC=C3)C

DOS

IR

Vibrations