Geometry & MOs

Info

ID:	213089
PubChem CID:	81062820
Reduced:	NF3O4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-293.57
Dipole, Da:	3.47
IP(EA), eV:	-10.06(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(4-methylbenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=C(C(=C1F)O)F)F

DOS

IR

Vibrations