Geometry & MOs

Info

ID:	335373
PubChem CID:	127254235
Reduced:	N2O5C25H32 (1)
Stoich.:	A2B5C25D32 (1)
Weight, g/mol:	481.246438
ΔH_f, kcal/mol:	-187.66
Dipole, Da:	3.35
IP(EA), eV:	-8.2(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CN2CCC3(CCCCC3[C@@H]2C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations