Geometry & MOs

Info

ID:	244076
PubChem CID:	99309630
Reduced:	SN4O4C23H30 (1)
Stoich.:	AB4C4D23E30 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	-112.91
Dipole, Da:	4.96
IP(EA), eV:	-8.27(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NCCC(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=CO3

DOS

IR

Vibrations