Geometry & MOs

Info

ID:	4964
PubChem CID:	12350
Reduced:	C7H12 (1)
Stoich.:	A7B12 (1)
Weight, g/mol:	96.0939
ΔH_f, kcal/mol:	25.94
Dipole, Da:	1.22
IP(EA), eV:	-10.61(1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hept-1-yne

Drug info:

PubChemData

Smile

CCCCCC#C

DOS

IR

Vibrations