Geometry & MOs

Info

ID:	178684
PubChem CID:	76368831
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	389.171497
ΔH_f, kcal/mol:	19.58
Dipole, Da:	6.16
IP(EA), eV:	-8.72(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]-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)CC4=CC=CC=C4)NN1

DOS

IR

Vibrations