Geometry & MOs

Info

ID:	335292
PubChem CID:	127254153
Reduced:	N2O5C24H32 (1)
Stoich.:	A2B5C24D32 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	-174.28
Dipole, Da:	2.74
IP(EA), eV:	-8.77(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations