Geometry & MOs

Info

ID:	319217
PubChem CID:	126655345
Reduced:	FON6H23C24 (1)
Stoich.:	ABC6D23E24 (1)
Weight, g/mol:	167.105862
ΔH_f, kcal/mol:	38.17
Dipole, Da:	4.01
IP(EA), eV:	-8.37(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCC1CCCN(C1)C2=NN(C=C2)C3=CC(=NC4=C3C(=O)NC4)C5=C(C=CC=C5F)C#N

DOS

IR

Vibrations