Geometry & MOs

Info

ID:	224948
PubChem CID:	85735097
Reduced:	ClFNO3H21C22 (1)
Stoich.:	ABCD3E21F22 (1)
Weight, g/mol:	387.234035
ΔH_f, kcal/mol:	-133.81
Dipole, Da:	3.57
IP(EA), eV:	-9.41(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)COC(=O)C(CC3=CC=C(C=C3)F)N.Cl

DOS

IR

Vibrations