Geometry & MOs

Info

ID:	321989
PubChem CID:	126667681
Reduced:	NO3C31H31 (1)
Stoich.:	AB3C31D31 (1)
Weight, g/mol:	596.214016
ΔH_f, kcal/mol:	21.5
Dipole, Da:	3.53
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]dibenzofuran

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=CC(=C1)C#CC2=CC=C(C=C2)COCC)C#CC3=CC=C(C=C3)COCC

DOS

IR

Vibrations