Geometry & MOs

Info

ID:	263053
PubChem CID:	103336937
Reduced:	OCl2N3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	264.158626
ΔH_f, kcal/mol:	10.18
Dipole, Da:	4.12
IP(EA), eV:	-9.0(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C2=CN=CC(=N2)Cl

DOS

IR

Vibrations