Geometry & MOs

Info

ID:	13221
PubChem CID:	223503
Reduced:	ClOH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	232.065493
ΔH_f, kcal/mol:	-22.04
Dipole, Da:	1.09
IP(EA), eV:	-8.82(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chlorophenyl)methyl]-2-methylphenol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CC2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations