Geometry & MOs

Info

ID:	335351
PubChem CID:	127254213
Reduced:	NO7C30H41 (1)
Stoich.:	AB7C30D41 (1)
Weight, g/mol:	407.246044
ΔH_f, kcal/mol:	-270.29
Dipole, Da:	6.33
IP(EA), eV:	-8.38(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCC3(CCCCC3[C@@H]2C4=C(C=CC(=C4)OC)OC)O

DOS

IR

Vibrations