Geometry & MOs

Info

ID:	136884
PubChem CID:	52118984
Reduced:	F2O3N4H18C21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	428.105146
ΔH_f, kcal/mol:	-135.32
Dipole, Da:	2.41
IP(EA), eV:	-8.95(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)CN2C(=O)C=CC(=N2)C(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations