Geometry & MOs

Info

ID:	335253
PubChem CID:	127254114
Reduced:	N2O4C27H44 (1)
Stoich.:	A2B4C27D44 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-202.38
Dipole, Da:	1.98
IP(EA), eV:	-8.24(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(CC)CNC(=O)CN1CCC2(CCCCC2[C@@H]1C3=C(C=CC(=C3)OC)OC)O

DOS

IR

Vibrations