Geometry & MOs

Info

ID:	37486
PubChem CID:	8021523
Reduced:	Cl2N2O3H16C21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	325.986112
ΔH_f, kcal/mol:	-53.41
Dipole, Da:	3.3
IP(EA), eV:	-8.78(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-nitrophenyl)methyl 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC(=C(N=C3)Cl)Cl

DOS

IR

Vibrations