Geometry & MOs

Info

ID:	335293
PubChem CID:	127254154
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	365.199094
ΔH_f, kcal/mol:	-136.96
Dipole, Da:	5.49
IP(EA), eV:	-8.88(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations