Geometry & MOs

Info

ID:	199528
PubChem CID:	79261994
Reduced:	N2F3O5C11H11 (1)
Stoich.:	A2B3C5D11E11 (1)
Weight, g/mol:	307.114376
ΔH_f, kcal/mol:	-264.65
Dipole, Da:	4.9
IP(EA), eV:	-9.94(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butyl-3-oxopyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N(CC(=O)O)CC(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations