Geometry & MOs

Info

ID:	287789
PubChem CID:	104294553
Reduced:	NF2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	285.11765
ΔH_f, kcal/mol:	-229.18
Dipole, Da:	7.55
IP(EA), eV:	-10.18(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-difluoro-5-methylbenzoyl)-propan-2-ylamino]propanoic acid

Drug info:

PubChemData

Smile

CCCC(C)(C(=O)O)NC(=O)C1=C(C=C(C(=C1)C)F)F

DOS

IR

Vibrations