Geometry & MOs

Info

ID:	55733
PubChem CID:	17396222
Reduced:	ClN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	375.146203
ΔH_f, kcal/mol:	-71.52
Dipole, Da:	3.79
IP(EA), eV:	-8.59(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=NN(C(=O)C=C2)C

DOS

IR

Vibrations