Geometry & MOs

Info

ID:	5993
PubChem CID:	14245
Reduced:	C7H12 (1)
Stoich.:	A7B12 (1)
Weight, g/mol:	96.0939
ΔH_f, kcal/mol:	20.55
Dipole, Da:	0.22
IP(EA), eV:	-9.96(2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hept-2-yne

Drug info:

PubChemData

Smile

CCCCC#CC

DOS

IR

Vibrations