Geometry & MOs

Info

ID:	442525
PubChem CID:	135252694
Reduced:	ON2C11H24 (1)
Stoich.:	AB2C11D24 (1)
Weight, g/mol:	718.182733
ΔH_f, kcal/mol:	-60.43
Dipole, Da:	3.63
IP(EA), eV:	-8.45(2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-([1]benzothiolo[2,3-b]pyridin-4-yl)-2-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-2-yl)phenyl]benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C(CN1CCNCC1)OC

DOS

IR

Vibrations