Geometry & MOs

Info

ID:	335381
PubChem CID:	127254243
Reduced:	NO6C29H37 (1)
Stoich.:	AB6C29D37 (1)
Weight, g/mol:	407.246044
ΔH_f, kcal/mol:	-208.26
Dipole, Da:	4.16
IP(EA), eV:	-8.65(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2,5-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=C1[C@H]2C3CCCCC3(CCN2C(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC)O

DOS

IR

Vibrations