Geometry & MOs

Info

ID:	122575
PubChem CID:	50812915
Reduced:	N4O5H22C23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	438.145868
ΔH_f, kcal/mol:	-110.22
Dipole, Da:	5.03
IP(EA), eV:	-8.51(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC(=NN(C1=O)CC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

DOS

IR

Vibrations