Geometry & MOs

Info

ID:	437125
PubChem CID:	135215034
Reduced:	O2N3H17C29 (1)
Stoich.:	A2B3C17D29 (1)
Weight, g/mol:	563.163377
ΔH_f, kcal/mol:	111.57
Dipole, Da:	1.67
IP(EA), eV:	-8.95(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[10-([1,4]benzodioxino[3,2-b]quinoxalin-3-yl)anthracen-9-yl]naphthalene-1-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2C3=CC4=C(C=C3)OC5=NC6=CC=CC=C6N=C5O4)C7=CC=NC=C7

DOS

IR

Vibrations