Geometry & MOs

Info

ID:	37409
PubChem CID:	8020764
Reduced:	ClN2O5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	289.095023
ΔH_f, kcal/mol:	-108.02
Dipole, Da:	5.43
IP(EA), eV:	-9.52(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]1C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations