Geometry & MOs

Info

ID:	233697
PubChem CID:	92092932
Reduced:	ON4H18C21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	360.158626
ΔH_f, kcal/mol:	68.66
Dipole, Da:	1.85
IP(EA), eV:	-10.1(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetamidophenyl)-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C2=CC=NC=C2)CNC(=O)CCC3=CC=C(C=C3)C#N

DOS

IR

Vibrations