Geometry & MOs

Info

ID:	421904
PubChem CID:	135116814
Reduced:	ON6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	61.59
Dipole, Da:	3.6
IP(EA), eV:	-8.91(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)CC4=CC=C(O4)C5=CC=NN5

DOS

IR

Vibrations