Geometry & MOs

Info

ID:	8463
PubChem CID:	77981
Reduced:	H8C13 (1)
Stoich.:	A8B13 (1)
Weight, g/mol:	164.0626
ΔH_f, kcal/mol:	173.72
Dipole, Da:	1.29
IP(EA), eV:	-8.98(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hepta-1,3,5-triynylbenzene

Drug info:

PubChemData

Smile

CC#CC#CC#CC1=CC=CC=C1

DOS

IR

Vibrations