Geometry & MOs

Info

ID:	178687
PubChem CID:	76368834
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	313.140197
ΔH_f, kcal/mol:	-74.34
Dipole, Da:	5.26
IP(EA), eV:	-9.0(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1C2C(NC(=O)C2NN1)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations