Geometry & MOs

Info

ID:	442719
PubChem CID:	135255931
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	1239.415736
ΔH_f, kcal/mol:	-51.87
Dipole, Da:	3.9
IP(EA), eV:	-9.66(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(10-benzo[a]anthracen-7-ylanthracen-9-yl)-7-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)benzo[a]anthracen-10-yl]naphtho[2,3-b][1]benzofuran

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC(C1)(C2=CC=CC(=N2)CN=[N+]=[N-])O

DOS

IR

Vibrations