Geometry & MOs

Info

ID:	195595
PubChem CID:	78707672
Reduced:	O3N4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-14.42
Dipole, Da:	10.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755294
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)methylamino]-N-(methylcarbamoyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCN(CC2)C(=O)C3=CC=CO3

DOS

IR

Vibrations