Geometry & MOs

Info

ID:	188139
PubChem CID:	77672824
Reduced:	N2Cl3O5H11C17 (1)
Stoich.:	A2B3C5D11E17 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	-89.29
Dipole, Da:	6.39
IP(EA), eV:	-9.18(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 2-oxo-4aH-quinoline-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)OCC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations