Geometry & MOs

Info

ID:	224951
PubChem CID:	85735116
Reduced:	ClFNO4C14H21 (1)
Stoich.:	ABCD4E14F21 (1)
Weight, g/mol:	225.116507
ΔH_f, kcal/mol:	-241.6
Dipole, Da:	6.23
IP(EA), eV:	-9.65(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-amino-3-(2-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

COCCOCCOC(=O)C(CC1=CC=C(C=C1)F)N.Cl

DOS

IR

Vibrations