Geometry & MOs

Info

ID:	373110
PubChem CID:	131310120
Reduced:	ClIO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	354.00222
ΔH_f, kcal/mol:	-68.2
Dipole, Da:	5.03
IP(EA), eV:	-8.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-(1-chloroethyl)-4-methoxy-2-phenylmethoxybenzene

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1C(C)Cl)I)OC

DOS

IR

Vibrations