Geometry & MOs

Info

ID:	178683
PubChem CID:	76368830
Reduced:	OF3N3H20C24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	-97.14
Dipole, Da:	8.19
IP(EA), eV:	-8.8(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-4-phenyl-3-propan-2-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C3C(C(=O)N(C3C4=CC(=CC=C4)C(F)(F)F)C5=CC=CC=C5)NN2

DOS

IR

Vibrations