Geometry & MOs

Info

ID:	388155
PubChem CID:	134988343
Reduced:	FNPCl3O4C8H12 (1)
Stoich.:	ABCD3E4F8G12 (1)
Weight, g/mol:	312.05863
ΔH_f, kcal/mol:	-286.81
Dipole, Da:	3.39
IP(EA), eV:	-9.93(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-iodobutyl)heptanoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(/C(=C\F)/NC(=O)C(Cl)(Cl)Cl)OCC

DOS

IR

Vibrations