Geometry & MOs

Info

ID:	335341
PubChem CID:	127254203
Reduced:	N2O6C25H34 (1)
Stoich.:	A2B6C25D34 (1)
Weight, g/mol:	463.272259
ΔH_f, kcal/mol:	-209.18
Dipole, Da:	6.91
IP(EA), eV:	-8.73(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(1R)-1-(2,5-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@H]2C3CCCCC3(CCN2CC(=O)NCC4=CC=CO4)O

DOS

IR

Vibrations