Geometry & MOs

Info

ID:	51150
PubChem CID:	12013779
Reduced:	ON4H18C25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	424.109089
ΔH_f, kcal/mol:	131.09
Dipole, Da:	4.09
IP(EA), eV:	-8.7(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations