Geometry & MOs

Info

ID:	167919
PubChem CID:	74897231
Reduced:	Cl2O2N4C23H26 (1)
Stoich.:	A2B2C4D23E26 (1)
Weight, g/mol:	403.121818
ΔH_f, kcal/mol:	-25.07
Dipole, Da:	2.81
IP(EA), eV:	-8.96(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1CCN2C(C3C(NNC3C2=O)C4=CC=CC=C4)C5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations