Geometry & MOs

Info

ID:	203247
PubChem CID:	79798757
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	272.062006
ΔH_f, kcal/mol:	21.23
Dipole, Da:	9.13
IP(EA), eV:	-10.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C1=NC(=NO1)C2=C(C=CC(=C2)[N+](=O)[O-])C)N

DOS

IR

Vibrations