Geometry & MOs

Info

ID:	51153
PubChem CID:	12013784
Reduced:	ON5H19C25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	439.119988
ΔH_f, kcal/mol:	135.84
Dipole, Da:	4.51
IP(EA), eV:	-8.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(N(N=C2C3=CC=CC=C31)C4=CC=CC=C4)C5=NN=C(O5)NC6=CC=CC=C6

DOS

IR

Vibrations