Geometry & MOs

Info

ID:	445039
PubChem CID:	135264380
Reduced:	SN3H15C24 (1)
Stoich.:	AB3C15D24 (1)
Weight, g/mol:	427.179696
ΔH_f, kcal/mol:	147.67
Dipole, Da:	1.56
IP(EA), eV:	-8.28(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(4,5-diphenyl-1,2,4-triazol-3-yl)-10a,10b-dihydro-1H-pyrrolo[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN=C(N=C2)N3C4=CC=CC=C4C5=C3C=C6C(=C5)C=CS6

DOS

IR

Vibrations