Geometry & MOs

Info

ID:	224953
PubChem CID:	85735122
Reduced:	ClFNO2C18H29 (1)
Stoich.:	ABCD2E18F29 (1)
Weight, g/mol:	471.327936
ΔH_f, kcal/mol:	-188.87
Dipole, Da:	3.79
IP(EA), eV:	-9.52(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octadecyl 2-amino-3-(4-fluorophenyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations