Geometry & MOs

Info

ID:	420234
PubChem CID:	135111979
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-83.5
Dipole, Da:	4.67
IP(EA), eV:	-9.24(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4R)-4-methoxy-1-pyridin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations