Geometry & MOs

Info

ID:	203184
PubChem CID:	79791398
Reduced:	O2F3N3C12H12 (1)
Stoich.:	A2B3C3D12E12 (1)
Weight, g/mol:	304.103477
ΔH_f, kcal/mol:	-190.35
Dipole, Da:	8.92
IP(EA), eV:	-9.42(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-methyl-2-[(4-methylphenyl)methylcarbamoylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)(C(F)(F)F)NCC1=CN2C=CC=CC2=N1

DOS

IR

Vibrations