Geometry & MOs

Info

ID:	416529
PubChem CID:	135089577
Reduced:	ON4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	6.92
Dipole, Da:	1.0
IP(EA), eV:	-8.72(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C4CCN(CC4)CC5=CC=CO5

DOS

IR

Vibrations