Geometry & MOs

Info

ID:	169823
PubChem CID:	75155524
Reduced:	FSO2N3C28H32 (1)
Stoich.:	ABC2D3E28F32 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-71.53
Dipole, Da:	7.28
IP(EA), eV:	-8.68(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-4-(4-nitrophenyl)-2,3,3a,4,5,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)N(C(=O)C(=CC3=CC=CC=C3F)S2)CC(=O)N4CCN(CC4)CC5=CC=CC=C5

DOS

IR

Vibrations