Geometry & MOs

Info

ID:	128687
PubChem CID:	51054031
Reduced:	SN3O4H15C16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	-67.62
Dipole, Da:	5.05
IP(EA), eV:	-8.56(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-benzylpiperazin-1-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C(=O)C=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)OC)OC

DOS

IR

Vibrations