Geometry & MOs

Info

ID:	158289
PubChem CID:	56463303
Reduced:	OSN4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	429.156767
ΔH_f, kcal/mol:	30.09
Dipole, Da:	2.08
IP(EA), eV:	-8.52(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[4-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperazin-1-yl]-2-phenylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NC2=CN(N=C2)CC3=CC=CC=C3

DOS

IR

Vibrations