Geometry & MOs

Info

ID:	50006
PubChem CID:	11538735
Reduced:	FO2N5C22H22 (1)
Stoich.:	AB2C5D22E22 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-22.8
Dipole, Da:	4.6
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[[(3R)-3-(3-methoxypropoxy)pyrrolidin-1-yl]methyl]phenyl]phenyl]-5-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCCC(C3)C4=NC5=C(N4)C=C(C=C5)F)OC

DOS

IR

Vibrations