Geometry & MOs

Info

ID:	416751
PubChem CID:	135090284
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	315.125277
ΔH_f, kcal/mol:	153.9
Dipole, Da:	5.55
IP(EA), eV:	-8.59(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-3-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4)C

DOS

IR

Vibrations