Geometry & MOs

Info

ID:	288874
PubChem CID:	104327510
Reduced:	FNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	253.111422
ΔH_f, kcal/mol:	-185.84
Dipole, Da:	4.67
IP(EA), eV:	-10.11(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-fluoro-2-methylbenzoyl)amino]methyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NC(C)(C)CC(=O)O

DOS

IR

Vibrations