Geometry & MOs

Info

ID:	317203
PubChem CID:	126633049
Reduced:	OC10H14 (1)
Stoich.:	AB10C14 (1)
Weight, g/mol:	619.23
ΔH_f, kcal/mol:	-18.82
Dipole, Da:	2.63
IP(EA), eV:	-8.37(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(4-benzo[b]triphenylen-10-ylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

Drug info:

PubChemData

Smile

C/C=C\C=C/1\CCO\C1=C/C

DOS

IR

Vibrations