Geometry & MOs

Info

ID:	251109
PubChem CID:	103101534
Reduced:	FNO2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	240.085855
ΔH_f, kcal/mol:	-240.14
Dipole, Da:	3.54
IP(EA), eV:	-10.31(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-1H-imidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=CC(=C(C=C1C(=O)O)F)F

DOS

IR

Vibrations