Geometry & MOs

Info

ID:	335359
PubChem CID:	127254221
Reduced:	NO4C24H29 (1)
Stoich.:	AB4C24D29 (1)
Weight, g/mol:	421.225308
ΔH_f, kcal/mol:	-140.28
Dipole, Da:	4.88
IP(EA), eV:	-8.73(-0.07)
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-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2C(=O)C4=CC=CC=C4OC)O

DOS

IR

Vibrations