Geometry & MOs

Info

ID:	335335
PubChem CID:	127254197
Reduced:	N2O3C23H34 (1)
Stoich.:	A2B3C23D34 (1)
Weight, g/mol:	451.235873
ΔH_f, kcal/mol:	-135.41
Dipole, Da:	3.74
IP(EA), eV:	-8.46(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2CC(=O)N4CCCCC4)O

DOS

IR

Vibrations