Geometry & MOs

Info

ID:	172689
PubChem CID:	75541919
Reduced:	N7O13C20H37 (1)
Stoich.:	A7B13C20D37 (1)
Weight, g/mol:	256.072703
ΔH_f, kcal/mol:	-513.92
Dipole, Da:	4.16
IP(EA), eV:	-9.36(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-acetylpiperazin-1-yl)-4-chloro-4H-pyridazin-3-one

Drug info:

PubChemData

Smile

CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NO)(C=O)O

DOS

IR

Vibrations