Geometry & MOs

Info

ID:	4871
PubChem CID:	12207
Reduced:	IC7H7 (1)
Stoich.:	AB7C7 (1)
Weight, g/mol:	217.95925
ΔH_f, kcal/mol:	29.75
Dipole, Da:	2.41
IP(EA), eV:	-9.17(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-4-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)I

DOS

IR

Vibrations