Geometry & MOs

Info

ID:	55734
PubChem CID:	17396223
Reduced:	ClO2N5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	403.141117
ΔH_f, kcal/mol:	-23.95
Dipole, Da:	5.11
IP(EA), eV:	-8.95(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-3-oxopropyl]acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=NN(C(=O)C=C3)C

DOS

IR

Vibrations