Geometry & MOs

Info

ID:	12539
PubChem CID:	139852
Reduced:	NC6H7 (1)
Stoich.:	AB6C7 (1)
Weight, g/mol:	93.057849
ΔH_f, kcal/mol:	68.81
Dipole, Da:	3.52
IP(EA), eV:	-10.94(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-5-ynenitrile

Drug info:

PubChemData

Smile

C#CCCCC#N

DOS

IR

Vibrations