Geometry & MOs

Info

ID:	445044
PubChem CID:	135264387
Reduced:	NH9C13 (2)
Stoich.:	AB9C13 (2)
Weight, g/mol:	444.140868
ΔH_f, kcal/mol:	122.78
Dipole, Da:	2.24
IP(EA), eV:	-7.86(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-diphenyl-1,5-dihydro-1,2,4-triazol-5-yl)thieno[2,3-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5=C(C=C4)NC=C5)C6=CC=CC=C63

DOS

IR

Vibrations