Geometry & MOs

Info

ID:	167921
PubChem CID:	74897238
Reduced:	ClON2C12H14 (2)
Stoich.:	ABC2D12E14 (2)
Weight, g/mol:	451.121818
ΔH_f, kcal/mol:	-30.15
Dipole, Da:	3.46
IP(EA), eV:	-8.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenyl)-3-phenyl-5-(2-phenylethyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

C1COCCN1CCCN2C(C3C(NNC3C2=O)C4=CC=CC=C4)C5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations