Geometry & MOs

Info

ID:	7985
PubChem CID:	74573
Reduced:	C11H12 (1)
Stoich.:	A11B12 (1)
Weight, g/mol:	144.0939
ΔH_f, kcal/mol:	62.71
Dipole, Da:	0.99
IP(EA), eV:	-9.33(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pent-4-ynylbenzene

Drug info:

PubChemData

Smile

C#CCCCC1=CC=CC=C1

DOS

IR

Vibrations