Geometry & MOs

Info

ID:	411651
PubChem CID:	135084483
Reduced:	BrNOF2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	332.02733
ΔH_f, kcal/mol:	-84.74
Dipole, Da:	1.68
IP(EA), eV:	-10.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-iodohexyl benzoate

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Br)C(C2=CC(=C(C=C2)F)F)O

DOS

IR

Vibrations