Geometry & MOs

Info

ID:	166470
PubChem CID:	74694865
Reduced:	BrN3O5H8C14 (1)
Stoich.:	AB3C5D8E14 (1)
Weight, g/mol:	244.097368
ΔH_f, kcal/mol:	63.66
Dipole, Da:	12.93
IP(EA), eV:	-9.34(-4.47)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(cyclohex-3-ene-1-carbonylamino)benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)[O-])NN=CC2=C(C(=CC(=C2)Br)[N+](=O)[O-])[O-]

DOS

IR

Vibrations