Geometry & MOs

Info

ID:	371966
PubChem CID:	131282801
Reduced:	IO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	393.86771
ΔH_f, kcal/mol:	-63.14
Dipole, Da:	3.83
IP(EA), eV:	-9.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-1-iodo-3-methoxy-2-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)I)O)OCC

DOS

IR

Vibrations