Geometry & MOs

Info

ID:	335296
PubChem CID:	127254157
Reduced:	N2O3C29H38 (1)
Stoich.:	A2B3C29D38 (1)
Weight, g/mol:	454.246772
ΔH_f, kcal/mol:	-100.07
Dipole, Da:	3.55
IP(EA), eV:	-8.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2C(=O)/C=C/C4=CC=C(C=C4)OC)O

DOS

IR

Vibrations