Geometry & MOs

Info

ID:	184217
PubChem CID:	77128363
Reduced:	ClNOF3C10H11 (1)
Stoich.:	ABCD3E10F11 (1)
Weight, g/mol:	263.040542
ΔH_f, kcal/mol:	-214.05
Dipole, Da:	2.6
IP(EA), eV:	-9.18(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-amino-2,2,2-trifluoroethyl)benzene-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Cl)C)C(C(F)(F)F)N)O

DOS

IR

Vibrations