Geometry & MOs

Info

ID:	415001
PubChem CID:	135087981
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	-15.52
Dipole, Da:	5.4
IP(EA), eV:	-8.56(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)NC2=NC=CC(=C2)C(=O)N3CCCC3)C

DOS

IR

Vibrations