Geometry & MOs

Info

ID:	199527
PubChem CID:	79261106
Reduced:	N2F3O3C10H15 (1)
Stoich.:	A2B3C3D10E15 (1)
Weight, g/mol:	308.062006
ΔH_f, kcal/mol:	-301.01
Dipole, Da:	9.29
IP(EA), eV:	-9.7(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methoxy-4-nitro-N-(2,2,2-trifluoroethyl)anilino]acetic acid

Drug info:

PubChemData

Smile

C1CN(CC1CC(=O)O)C(=O)CNCC(F)(F)F

DOS

IR

Vibrations