Geometry & MOs

Info

ID:	335246
PubChem CID:	127254107
Reduced:	N2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	438.251858
ΔH_f, kcal/mol:	-145.28
Dipole, Da:	6.8
IP(EA), eV:	-8.71(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(1R)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[C@H]2C3CCCCC3(CCN2CC(=O)NCC4=CC=CC=C4)O)O

DOS

IR

Vibrations