Geometry & MOs

Info

ID:	410601
PubChem CID:	135083401
Reduced:	NOC12H18 (1)
Stoich.:	ABC12D18 (1)
Weight, g/mol:	421.188923
ΔH_f, kcal/mol:	5.1
Dipole, Da:	0.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.862619
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

COC[C@H]1CCCN1C[C]2[CH][CH][CH][CH]2

DOS

IR

Vibrations