Geometry & MOs

Info

ID:	4994
PubChem CID:	12396
Reduced:	C8H15 (2)
Stoich.:	A8B15 (2)
Weight, g/mol:	222.234751
ΔH_f, kcal/mol:	-16.21
Dipole, Da:	1.16
IP(EA), eV:	-10.58(1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadec-1-yne

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC#C

DOS

IR

Vibrations