Geometry & MOs

Info

ID:	37487
PubChem CID:	8021526
Reduced:	Cl2N2O4H8C13 (1)
Stoich.:	A2B2C4D8E13 (1)
Weight, g/mol:	400.038148
ΔH_f, kcal/mol:	-39.12
Dipole, Da:	3.25
IP(EA), eV:	-10.22(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(phenylcarbamoyl)phenyl]methyl 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC(=O)C2=CC(=C(N=C2)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations