Geometry & MOs

Info

ID:	423017
PubChem CID:	135118767
Reduced:	NO8C17H19 (1)
Stoich.:	AB8C17D19 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	-271.75
Dipole, Da:	5.94
IP(EA), eV:	-8.94(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations