Geometry & MOs

Info

ID:	420461
PubChem CID:	135113257
Reduced:	FO2N4C10H13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	373.130553
ΔH_f, kcal/mol:	-85.22
Dipole, Da:	4.74
IP(EA), eV:	-9.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1F)N2CCCNC(=O)C2

DOS

IR

Vibrations