Geometry & MOs

Info

ID:	386614
PubChem CID:	134982339
Reduced:	O2C15H22 (3)
Stoich.:	A2B15C22 (3)
Weight, g/mol:	191.073499
ΔH_f, kcal/mol:	-267.91
Dipole, Da:	3.41
IP(EA), eV:	-7.66(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-phenalene-1-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=C(C(=C(C=C24)OC)OC)C)OCCCCCC)OCCCCCC)OCCCCCC

DOS

IR

Vibrations