Geometry & MOs

Info

ID:	242522
PubChem CID:	97301819
Reduced:	F2N2O3H4C8 (1)
Stoich.:	A2B2C3D4E8 (1)
Weight, g/mol:	438.076274
ΔH_f, kcal/mol:	-80.39
Dipole, Da:	4.5
IP(EA), eV:	-10.58(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[[4-(trifluoromethyl)pyridin-3-yl]methylamino] oxalate

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)OC(=N2)C(F)F)[N+](=O)[O-]

DOS

IR

Vibrations