Geometry & MOs

Info

ID:	310435
PubChem CID:	126580284
Reduced:	SN5H27C46 (1)
Stoich.:	AB5C27D46 (1)
Weight, g/mol:	461.152812
ΔH_f, kcal/mol:	272.38
Dipole, Da:	5.89
IP(EA), eV:	-8.25(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)N4C5=CC=CC=C5C6=C4C=C(C=C6)C7=CC=CC8=C7SC9=CC=CC=C89)C1=CC=CC(=C1)C#N

DOS

IR

Vibrations