Geometry & MOs

Info

ID:	141926
PubChem CID:	52953594
Reduced:	SO3N6C27H36 (1)
Stoich.:	AB3C6D27E36 (1)
Weight, g/mol:	331.132077
ΔH_f, kcal/mol:	-65.02
Dipole, Da:	7.25
IP(EA), eV:	-8.77(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-4-methylidene-2-phenyl-1,3a-dihydropyrazolo[4,3-c]pyridine-3,6-dione

Drug info:

PubChemData

Smile

CCCCCC(=O)N1CCN(CC1)CCN2C(C3C(=CC2=O)NN(C3=O)C4=NC5=CC=CC=C5S4)CC

DOS

IR

Vibrations