Geometry & MOs

Info

ID:	80330
PubChem CID:	49834062
Reduced:	ON4C22H22 (1)
Stoich.:	AB4C22D22 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	41.97
Dipole, Da:	3.95
IP(EA), eV:	-8.43(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-ethylpiperazin-1-yl)-N-(6-methylpyridin-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)N(C)C(=O)C2=CN=C(C=C2)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations