Geometry & MOs

Info

ID:	335275
PubChem CID:	127254136
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	412.236208
ΔH_f, kcal/mol:	-95.32
Dipole, Da:	7.61
IP(EA), eV:	-8.72(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(2-ethoxyphenyl)-4a-hydroxy-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#N)O)OC

DOS

IR

Vibrations