Geometry & MOs

Info

ID:	128537
PubChem CID:	51049354
Reduced:	SN3O4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	-117.71
Dipole, Da:	5.39
IP(EA), eV:	-9.4(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations