Geometry & MOs

Info

ID:	23029
PubChem CID:	601000
Reduced:	Cl3C13H15 (1)
Stoich.:	A3B13C15 (1)
Weight, g/mol:	276.023934
ΔH_f, kcal/mol:	-23.78
Dipole, Da:	1.19
IP(EA), eV:	-9.28(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-(1,1,2-trichloropent-2-enyl)benzene

Drug info:

PubChemData

Smile

CCC=C(C(C1=CC(=CC(=C1)C)C)(Cl)Cl)Cl

DOS

IR

Vibrations