Geometry & MOs

Info

ID:	233241
PubChem CID:	89449474
Reduced:	NC10H17 (1)
Stoich.:	AB10C17 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	3.16
Dipole, Da:	3.9
IP(EA), eV:	-10.94(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylhex-5-yn-3-yl)-3-nitrobenzene

Drug info:

PubChemData

Smile

CC(C)C(CC#N)C1CCC1

DOS

IR

Vibrations