Geometry & MOs

Info

ID:	375283
PubChem CID:	131485302
Reduced:	ClIOF3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	349.91822
ΔH_f, kcal/mol:	-188.2
Dipole, Da:	3.12
IP(EA), eV:	-9.62(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-2-iodo-1-methyl-4-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1I)CCl)OC(F)(F)F

DOS

IR

Vibrations