Geometry & MOs

Info

ID:	178686
PubChem CID:	76368833
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	23.09
Dipole, Da:	6.7
IP(EA), eV:	-8.58(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-yl)-3-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CC(C)C1C2C(C(=O)N(C2C3=CC=CC=C3)C4=CC=CC=C4)NN1

DOS

IR

Vibrations