Geometry & MOs

Info

ID:	213998
PubChem CID:	81065668
Reduced:	NO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	254.106671
ΔH_f, kcal/mol:	-209.15
Dipole, Da:	3.79
IP(EA), eV:	-8.65(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=C(C(=CC=C1)OC)O

DOS

IR

Vibrations