Geometry & MOs

Info

ID:	39212
PubChem CID:	8139925
Reduced:	O2N3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	18.3
Dipole, Da:	4.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.008984
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanophenoxy)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)COC2=CC=CC=C2C#N

DOS

IR

Vibrations