Geometry & MOs

Info

ID:	37164
PubChem CID:	8017748
Reduced:	ClN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	338.022498
ΔH_f, kcal/mol:	-88.8
Dipole, Da:	4.28
IP(EA), eV:	-9.18(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations