Geometry & MOs

Info

ID:	375284
PubChem CID:	131485303
Reduced:	ClIOF3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	393.86771
ΔH_f, kcal/mol:	-184.19
Dipole, Da:	4.49
IP(EA), eV:	-9.84(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-5-iodo-3-methyl-2-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)OC(F)(F)F)CCl)I

DOS

IR

Vibrations