Geometry & MOs

Info

ID:	192576
PubChem CID:	78287176
Reduced:	N3O3C20H24 (1)
Stoich.:	A3B3C20D24 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-30.81
Dipole, Da:	12.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759650
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+](C)CC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations