Geometry & MOs

Info

ID:	418926
PubChem CID:	135107141
Reduced:	FNO4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	-175.65
Dipole, Da:	7.03
IP(EA), eV:	-9.03(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)C4=C(C=CC(=C4)O)F)OCC2

DOS

IR

Vibrations