Geometry & MOs

Info

ID:	136889
PubChem CID:	52119177
Reduced:	ClO3N4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	396.14337
ΔH_f, kcal/mol:	-56.27
Dipole, Da:	6.37
IP(EA), eV:	-9.03(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations