Geometry & MOs

Info

ID:	335295
PubChem CID:	127254156
Reduced:	N2O5C20H30 (1)
Stoich.:	A2B5C20D30 (1)
Weight, g/mol:	462.288243
ΔH_f, kcal/mol:	-202.58
Dipole, Da:	5.39
IP(EA), eV:	-8.71(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@H]2C3CCCCC3(CCN2CC(=O)N)O

DOS

IR

Vibrations