Geometry & MOs

Info

ID:	3674
PubChem CID:	9970
Reduced:	FINO2C18H27 (1)
Stoich.:	ABCD2E18F27 (1)
Weight, g/mol:	435.10705
ΔH_f, kcal/mol:	-127.59
Dipole, Da:	1.27
IP(EA), eV:	-8.59(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations