Geometry & MOs

Info

ID:	288619
PubChem CID:	104321658
Reduced:	NO2F3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-268.49
Dipole, Da:	5.66
IP(EA), eV:	-9.92(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylpyrazol-1-yl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C(=O)CC(F)(F)F)O

DOS

IR

Vibrations