Geometry & MOs

Info

ID:	37168
PubChem CID:	8017839
Reduced:	ClN3O4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	335.030898
ΔH_f, kcal/mol:	-130.55
Dipole, Da:	4.85
IP(EA), eV:	-8.89(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-nitroanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)COC(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations