Geometry & MOs

Info

ID:	4978
PubChem CID:	12370
Reduced:	C4H7 (2)
Stoich.:	A4B7 (2)
Weight, g/mol:	110.10955
ΔH_f, kcal/mol:	21.98
Dipole, Da:	1.03
IP(EA), eV:	-10.57(1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oct-1-yne

Drug info:

PubChemData

Smile

CCCCCCC#C

DOS

IR

Vibrations