Geometry & MOs

Info

ID:	375293
PubChem CID:	131485330
Reduced:	ClIOF3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	339.89597
ΔH_f, kcal/mol:	-186.35
Dipole, Da:	1.28
IP(EA), eV:	-9.74(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-1-iodo-3-methoxy-2-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC(F)(F)F)I)CCl

DOS

IR

Vibrations