Geometry & MOs

Info

ID:	312833
PubChem CID:	126609053
Reduced:	SN6H26C42 (1)
Stoich.:	AB6C26D42 (1)
Weight, g/mol:	629.232794
ΔH_f, kcal/mol:	267.35
Dipole, Da:	3.77
IP(EA), eV:	-8.38(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-phenyl-5-(9-pyridin-3-ylcarbazol-2-yl)-1,2,4-triazol-3-yl]-9-pyridin-3-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C(=CC=C4)C5=NN=C(S5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC(=N9)C1=CN=CC=C1

DOS

IR

Vibrations