Geometry & MOs

Info

ID:	199559
PubChem CID:	79266694
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	294.082741
ΔH_f, kcal/mol:	-122.74
Dipole, Da:	1.96
IP(EA), eV:	-10.25(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methylfuran-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CC(=O)O)C(=O)C1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations