Geometry & MOs

Info

ID:	330201
PubChem CID:	127247188
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	273.078327
ΔH_f, kcal/mol:	-13.7
Dipole, Da:	0.83
IP(EA), eV:	-8.84(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)C3(CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations