Geometry & MOs

Info

ID:	136888
PubChem CID:	52119176
Reduced:	N4O5C23H24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	424.130218
ΔH_f, kcal/mol:	-120.67
Dipole, Da:	1.85
IP(EA), eV:	-8.36(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=NN(C(=O)C=C2)CC(=O)NC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations