Geometry & MOs

Info

ID:	335355
PubChem CID:	127254217
Reduced:	NO2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	425.220223
ΔH_f, kcal/mol:	-179.65
Dipole, Da:	2.93
IP(EA), eV:	-8.26(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(2-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCCNC(=O)CN1CCC2(CCCCC2[C@@H]1C3=C(C=CC(=C3)OC)OC)O

DOS

IR

Vibrations