Geometry & MOs

Info

ID:	437116
PubChem CID:	135214949
Reduced:	NO2C35H43 (1)
Stoich.:	AB2C35D43 (1)
Weight, g/mol:	642.205576
ΔH_f, kcal/mol:	-52.94
Dipole, Da:	3.1
IP(EA), eV:	-8.51(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-[1,4]benzodioxino[3,2-b]quinoxaline

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4=CC=C(C=C4)OCCNC(=O)C=C)C

DOS

IR

Vibrations