Geometry & MOs

Info

ID:	203201
PubChem CID:	79791969
Reduced:	N2O2F3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	306.082741
ΔH_f, kcal/mol:	-197.32
Dipole, Da:	6.1
IP(EA), eV:	-9.7(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-methyl-2-[(2-methyl-3-nitrophenyl)methylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)(C(F)(F)F)NCC1=CC2=C(C=C1)N=CC=C2

DOS

IR

Vibrations