Geometry & MOs

Info

ID:	51151
PubChem CID:	12013780
Reduced:	ClON4H17C25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	455.097145
ΔH_f, kcal/mol:	121.65
Dipole, Da:	2.55
IP(EA), eV:	-8.8(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-chlorophenyl)-4,5-dihydrobenzo[g]indazol-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

C1CC2=C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)Cl)C5=NN=C(O5)C6=CC=CC=C6

DOS

IR

Vibrations