Geometry & MOs

Info

ID:	55429
PubChem CID:	17395389
Reduced:	N3C10H15 (2)
Stoich.:	A3B10C15 (2)
Weight, g/mol:	374.150954
ΔH_f, kcal/mol:	47.56
Dipole, Da:	2.07
IP(EA), eV:	-8.51(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(4-pentanoylpiperazin-1-yl)-2-phenylpyridazin-3-one

Drug info:

PubChemData

Smile

CC(C1=NC(=NC(=N1)N(C)C)N)N2CCC(CC2)CCC3=CC=CC=C3

DOS

IR

Vibrations