Geometry & MOs

Info

ID:	335241
PubChem CID:	127254102
Reduced:	N2O5C26H34 (1)
Stoich.:	A2B5C26D34 (1)
Weight, g/mol:	511.257003
ΔH_f, kcal/mol:	-176.26
Dipole, Da:	2.02
IP(EA), eV:	-8.62(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(1R)-1-(2,4-dimethoxyphenyl)-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

COC1=CC(=CC(=C1OC)OC)[C@H]2C3CCCCC3(CCN2CC(=O)NC4=CC=CC=C4)O

DOS

IR

Vibrations