Geometry & MOs

Info

ID:	251382
PubChem CID:	103103567
Reduced:	FN3O4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	271.153206
ΔH_f, kcal/mol:	-205.0
Dipole, Da:	3.19
IP(EA), eV:	-9.63(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)NC1=C(C(=CC=C1)F)C(=O)O

DOS

IR

Vibrations