Geometry & MOs

Info

ID:	213149
PubChem CID:	81063025
Reduced:	NCl2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	279.127072
ΔH_f, kcal/mol:	-125.92
Dipole, Da:	3.88
IP(EA), eV:	-9.68(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)/C=C/C1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations