Geometry & MOs

Info

ID:	12460
PubChem CID:	138121
Reduced:	IC9H11 (1)
Stoich.:	AB9C11 (1)
Weight, g/mol:	245.99055
ΔH_f, kcal/mol:	22.57
Dipole, Da:	1.7
IP(EA), eV:	-9.46(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodopropylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCI

DOS

IR

Vibrations