Geometry & MOs

Info

ID:	149865
PubChem CID:	53789544
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	414.072425
ΔH_f, kcal/mol:	-41.51
Dipole, Da:	1.42
IP(EA), eV:	-8.65(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-1-propyl-4H-thiopyrano[4,3-c]pyrazole

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(CC2)OC3CCN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations