Geometry & MOs

Info

ID:	384159
PubChem CID:	134976453
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	258.140851
ΔH_f, kcal/mol:	-52.2
Dipole, Da:	4.66
IP(EA), eV:	-10.29(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tricyclo[10.7.1.016,20]icosa-1(19),12,14,16(20),17-pentaen-3,9-diyne

Drug info:

PubChemData

Smile

CC(=O)OCCCC#CCCCC#N

DOS

IR

Vibrations