Geometry & MOs

Info

ID:	436736
PubChem CID:	135208664
Reduced:	NH26C32 (2)
Stoich.:	AB26C32 (2)
Weight, g/mol:	544.182715
ΔH_f, kcal/mol:	182.29
Dipole, Da:	0.88
IP(EA), eV:	-7.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(10-pyren-1-ylanthracen-9-yl)dibenzofuran

Drug info:

PubChemData

Smile

CC(C)C1=C2CCC3=C(C=C4CCC(C5=C4C3=C2C(=C5)C(=C1)N(C6=CC7=CC=CC=C7C=C6)C8=CC=CC9=CC=CC=C98)(C)C)N(C1=CC2=CC=CC=C2C=C1)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations