Geometry & MOs

Info

ID:	37410
PubChem CID:	8020775
Reduced:	NO5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	312.051299
ΔH_f, kcal/mol:	-158.36
Dipole, Da:	3.91
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloro-3-nitroanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]1C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

DOS

IR

Vibrations