Geometry & MOs

Info

ID:	307464
PubChem CID:	125307049
Reduced:	OSCl2N6H18C25 (1)
Stoich.:	ABC2D6E18F25 (1)
Weight, g/mol:	210.079313
ΔH_f, kcal/mol:	149.82
Dipole, Da:	4.43
IP(EA), eV:	-8.74(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-naphthalen-1-yloxy-3H-pyrazole

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)/C=N\NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations