Geometry & MOs

Info

ID:	45435
PubChem CID:	10513322
Reduced:	ON2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	225.080121
ΔH_f, kcal/mol:	-46.44
Dipole, Da:	3.89
IP(EA), eV:	-9.71(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-fluorobenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCC(=O)C(CC1=NNN=C1)NC(=O)CC

DOS

IR

Vibrations