Geometry & MOs

Info

ID:	318738
PubChem CID:	126652988
Reduced:	SH30C51 (1)
Stoich.:	AB30C51 (1)
Weight, g/mol:	758.260966
ΔH_f, kcal/mol:	226.16
Dipole, Da:	0.79
IP(EA), eV:	-8.36(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(12-naphthalen-2-ylchrysen-6-yl)spiro[benzo[c]fluorene-7,10'-indeno[1,2-b][1]benzofuran]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C(C4=CC=CC=C43)C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=CC=CC=C9C1=C8C3=CC=CC=C3S1)C1=CC=CC=C12

DOS

IR

Vibrations