Geometry & MOs

Info

ID:	62024
PubChem CID:	26717094
Reduced:	NO4C24H25 (1)
Stoich.:	AB4C24D25 (1)
Weight, g/mol:	481.151682
ΔH_f, kcal/mol:	-88.31
Dipole, Da:	5.68
IP(EA), eV:	-8.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)/C=C/C3=CC(=C(C=C3OC)OC)OC

DOS

IR

Vibrations