Geometry & MOs

Info

ID:	27131
PubChem CID:	815111
Reduced:	NOC15H23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-46.74
Dipole, Da:	1.87
IP(EA), eV:	-8.62(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@](C[C@H]1C)(C2=CC=CC=C2)O)C

DOS

IR

Vibrations