Geometry & MOs

Info

ID:	9329
PubChem CID:	88034
Reduced:	ClC13H19 (1)
Stoich.:	AB13C19 (1)
Weight, g/mol:	210.117528
ΔH_f, kcal/mol:	-33.6
Dipole, Da:	2.22
IP(EA), eV:	-9.09(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-(chloromethyl)-1,3-dimethylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CCl)C)C(C)(C)C

DOS

IR

Vibrations