Geometry & MOs

Info

ID:	205442
PubChem CID:	80102499
Reduced:	OCl2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	232.04217
ΔH_f, kcal/mol:	-40.67
Dipole, Da:	1.49
IP(EA), eV:	-9.17(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-2-(chloromethyl)-2-methylpropyl]phenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CC2=CC(=CC=C2)O)(CCl)CCl

DOS

IR

Vibrations