Geometry & MOs

Info

ID:	404758
PubChem CID:	135070526
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	226.07537
ΔH_f, kcal/mol:	-35.97
Dipole, Da:	2.58
IP(EA), eV:	-8.78(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1C(OC2N1CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations