Geometry & MOs

Info

ID:	375291
PubChem CID:	131485325
Reduced:	ClIOF3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	349.91822
ΔH_f, kcal/mol:	-184.39
Dipole, Da:	3.33
IP(EA), eV:	-9.78(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations