Geometry & MOs

Info

ID:	157192
PubChem CID:	56422378
Reduced:	Cl2O3N4C18H18 (1)
Stoich.:	A2B3C4D18E18 (1)
Weight, g/mol:	426.090639
ΔH_f, kcal/mol:	-75.18
Dipole, Da:	11.43
IP(EA), eV:	-8.94(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)OC(=O)C2=NN=C(C=C2)N3CCCC3

DOS

IR

Vibrations