Geometry & MOs

Info

ID:	335306
PubChem CID:	127254167
Reduced:	NOC13H17 (2)
Stoich.:	ABC13D17 (2)
Weight, g/mol:	495.225702
ΔH_f, kcal/mol:	-74.22
Dipole, Da:	4.35
IP(EA), eV:	-7.98(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations