Geometry & MOs

Info

ID:	157183
PubChem CID:	56422366
Reduced:	NOC4H5 (5)
Stoich.:	ABC4D5 (5)
Weight, g/mol:	420.120047
ΔH_f, kcal/mol:	-179.88
Dipole, Da:	5.52
IP(EA), eV:	-9.2(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations