Geometry & MOs

Info

ID:	224949
PubChem CID:	85735104
Reduced:	ClFNO2C21H35 (1)
Stoich.:	ABCD2E21F35 (1)
Weight, g/mol:	283.158372
ΔH_f, kcal/mol:	-203.53
Dipole, Da:	4.14
IP(EA), eV:	-9.54(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxyethyl 2-amino-3-(2-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations