Geometry & MOs

Info

ID:	411365
PubChem CID:	135084188
Reduced:	ClOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	168.0939
ΔH_f, kcal/mol:	-47.04
Dipole, Da:	2.69
IP(EA), eV:	-9.3(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylidenemethyl)-2-ethynyl-4-methylbenzene

Drug info:

PubChemData

Smile

C/C(=C\CCC1=CC=C(C=C1)Cl)/CCO

DOS

IR

Vibrations