Geometry & MOs

Info

ID:	36107
PubChem CID:	7980772
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	384.051299
ΔH_f, kcal/mol:	-158.62
Dipole, Da:	4.56
IP(EA), eV:	-9.44(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloro-2-nitroanilino)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations