Geometry & MOs

Info

ID:	199511
PubChem CID:	79258320
Reduced:	IN2F3O4H8C10 (1)
Stoich.:	AB2C3D4E8F10 (1)
Weight, g/mol:	293.06234
ΔH_f, kcal/mol:	-198.2
Dipole, Da:	3.41
IP(EA), eV:	-9.82(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-methoxycarbonylpyridazin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1I)[N+](=O)[O-])N(CC(=O)O)CC(F)(F)F

DOS

IR

Vibrations