Geometry & MOs

Info

ID:	384719
PubChem CID:	134977542
Reduced:	NC11H13 (1)
Stoich.:	AB11C13 (1)
Weight, g/mol:	252.0939
ΔH_f, kcal/mol:	60.7
Dipole, Da:	3.09
IP(EA), eV:	-10.05(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,12Z)-tricyclo[14.4.0.04,9]icosa-1(20),2,4,6,8,12,16,18-octaen-10,14-diyne

Drug info:

PubChemData

Smile

CC#CCCCC1=CC=NC=C1

DOS

IR

Vibrations