Geometry & MOs

Info

ID:	287793
PubChem CID:	104294619
Reduced:	NF2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	285.11765
ΔH_f, kcal/mol:	-221.74
Dipole, Da:	7.06
IP(EA), eV:	-10.3(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2,4-difluoro-5-methylbenzoyl)amino]methyl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(=O)NC2CCCC2C(=O)O

DOS

IR

Vibrations