Geometry & MOs

Info

ID:	5452
PubChem CID:	13176
Reduced:	C7H8 (1)
Stoich.:	A7B8 (1)
Weight, g/mol:	92.0626
ΔH_f, kcal/mol:	71.5
Dipole, Da:	0.67
IP(EA), eV:	-9.4(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylhexa-1,5-dien-3-yne

Drug info:

PubChemData

Smile

CC(=C)C#CC=C

DOS

IR

Vibrations