Geometry & MOs

Info

ID:

335330

PubChem CID:

127254192

Reduced:

N2O5C31H42 (1)

Stoich.:

A2B5C31D42 (1)

Weight, g/mol:

481.246438

ΔHf, kcal/mol:

-170.64

Dipole, Da:

5.27

IP(EA), eV:

 -7.9(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2C(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC)O

DOS

IR

Vibrations