Geometry & MOs

Info

ID:	8556
PubChem CID:	79128
Reduced:	C4H5 (2)
Stoich.:	A4B5 (2)
Weight, g/mol:	106.07825
ΔH_f, kcal/mol:	49.14
Dipole, Da:	1.16
IP(EA), eV:	-9.2(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethynylcyclohexene

Drug info:

PubChemData

Smile

C#CC1=CCCCC1

DOS

IR

Vibrations