Geometry & MOs

Info

ID:	63061
PubChem CID:	26744171
Reduced:	N3O6C23H28 (1)
Stoich.:	A3B6C23D28 (1)
Weight, g/mol:	441.189986
ΔH_f, kcal/mol:	-111.79
Dipole, Da:	6.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.926652
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)[C@@H]3C[C@H](C[NH+]3CC4=C(C(=C(C=C4)OC)OC)OC)O

DOS

IR

Vibrations