Geometry & MOs

Info

ID:	335340
PubChem CID:	127254202
Reduced:	NO3C28H35 (1)
Stoich.:	AB3C28D35 (1)
Weight, g/mol:	458.241687
ΔH_f, kcal/mol:	-102.11
Dipole, Da:	4.18
IP(EA), eV:	-8.77(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations