Geometry & MOs

Info

ID:	418976
PubChem CID:	135107241
Reduced:	N3O4C16H23 (1)
Stoich.:	A3B4C16D23 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-141.81
Dipole, Da:	2.83
IP(EA), eV:	-9.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCC(=O)N1CCCN(CC1)C(=O)C2=CN=C(C=C2)OC

DOS

IR

Vibrations