Geometry & MOs

Info

ID:	165154
PubChem CID:	74506711
Reduced:	FO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	399.169525
ΔH_f, kcal/mol:	19.58
Dipole, Da:	3.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.048450
Charge, e:	0

Chem-info

IUPAC name:

5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C3CC(C[NH+]3CC4=CC(=CC=C4)C#N)O)F

DOS

IR

Vibrations