Geometry & MOs

Info

ID:	386580
PubChem CID:	134982212
Reduced:	O2C10H11 (2)
Stoich.:	A2B10C11 (2)
Weight, g/mol:	540.269315
ΔH_f, kcal/mol:	-119.32
Dipole, Da:	5.21
IP(EA), eV:	-8.53(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,5,6,7,8-octadeuterio-9,10,11,12-tetraphenyltriphenylene

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C(=CC(=C2C(=C1)C)C)C(=O)OC)C(=O)OC)C

DOS

IR

Vibrations