Geometry & MOs

Info

ID:	3673
PubChem CID:	9969
Reduced:	ClFINO2C18H28 (1)
Stoich.:	ABCDE2F18G28 (1)
Weight, g/mol:	471.08373
ΔH_f, kcal/mol:	-159.74
Dipole, Da:	3.91
IP(EA), eV:	-8.6(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dibutylamino)propyl 4-fluoro-3-iodobenzoate;hydrochloride

Drug info:

PubChemData

Smile

CCCCN(CCCC)CCCOC(=O)C1=CC(=C(C=C1)F)I.Cl

DOS

IR

Vibrations