Geometry & MOs

Info

ID:	37516
PubChem CID:	8021754
Reduced:	Cl2N2O3H16C17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	396.027977
ΔH_f, kcal/mol:	-84.91
Dipole, Da:	5.19
IP(EA), eV:	-9.79(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations