Geometry & MOs

Info

ID:	437124
PubChem CID:	135215033
Reduced:	S2N5H25C43 (1)
Stoich.:	A2B5C25D43 (1)
Weight, g/mol:	439.132077
ΔH_f, kcal/mol:	269.86
Dipole, Da:	1.85
IP(EA), eV:	-8.51(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-pyridin-4-ylnaphthalen-1-yl)-[1,4]benzodioxino[3,2-b]quinoxaline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC7=C(C=C6)SC8=NC9=CC=CC=C9N=C8S7)C1=CC=CC=C1

DOS

IR

Vibrations