Geometry & MOs

Info

ID:	335372
PubChem CID:	127254234
Reduced:	NO5C25H31 (1)
Stoich.:	AB5C25D31 (1)
Weight, g/mol:	440.231122
ΔH_f, kcal/mol:	-176.48
Dipole, Da:	2.64
IP(EA), eV:	-8.73(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)N2CCC3(CCCCC3[C@@H]2C4=CC=CC=C4OC)O)OC

DOS

IR

Vibrations