Geometry & MOs

Info

ID:	335279
PubChem CID:	127254140
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	395.246044
ΔH_f, kcal/mol:	-136.04
Dipole, Da:	4.69
IP(EA), eV:	-8.76(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2CC(=O)NCC4=CC=CO4)O

DOS

IR

Vibrations