Geometry & MOs

Info

ID:	29355
PubChem CID:	833269
Reduced:	FN3O3H12C17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	7.57
Dipole, Da:	8.33
IP(EA), eV:	-9.07(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[[(3-methylbenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)F

DOS

IR

Vibrations