Geometry & MOs

Info

ID:	21856
PubChem CID:	592565
Reduced:	Cl2H12C13 (1)
Stoich.:	A2B12C13 (1)
Weight, g/mol:	238.031606
ΔH_f, kcal/mol:	55.8
Dipole, Da:	2.76
IP(EA), eV:	-9.27(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[2-(1-chloro-2,2-dimethylcyclopropyl)ethynyl]benzene

Drug info:

PubChemData

Smile

CC1(CC1(C#CC2=CC=C(C=C2)Cl)Cl)C

DOS

IR

Vibrations