Geometry & MOs

Info

ID:	335270
PubChem CID:	127254131
Reduced:	N2O3C33H38 (1)
Stoich.:	A2B3C33D38 (1)
Weight, g/mol:	407.246044
ΔH_f, kcal/mol:	-83.58
Dipole, Da:	4.07
IP(EA), eV:	-7.92(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3,4-dimethoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46)O

DOS

IR

Vibrations