Geometry & MOs

Info

ID:	178685
PubChem CID:	76368832
Reduced:	OF3N3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	321.184112
ΔH_f, kcal/mol:	-140.19
Dipole, Da:	8.34
IP(EA), eV:	-8.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations