Geometry & MOs

Info

ID:	136887
PubChem CID:	52118987
Reduced:	FO3N4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	436.17467
ΔH_f, kcal/mol:	-101.64
Dipole, Da:	2.64
IP(EA), eV:	-8.71(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations