Geometry & MOs

Info

ID:	20182
PubChem CID:	582375
Reduced:	C13H16 (1)
Stoich.:	A13B16 (1)
Weight, g/mol:	172.125201
ΔH_f, kcal/mol:	48.25
Dipole, Da:	0.41
IP(EA), eV:	-9.39(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hept-2-ynylbenzene

Drug info:

PubChemData

Smile

CCCCC#CCC1=CC=CC=C1

DOS

IR

Vibrations