Geometry & MOs

Info

ID:	197127
PubChem CID:	78925715
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	225.080121
ΔH_f, kcal/mol:	-27.89
Dipole, Da:	3.81
IP(EA), eV:	-8.87(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2N1)NC(=O)C3(CCCC3)C

DOS

IR

Vibrations