Geometry & MOs

Info

ID:	244217
PubChem CID:	99319451
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	-137.66
Dipole, Da:	5.02
IP(EA), eV:	-8.57(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[2-(4-methyl-2-oxochromen-6-yl)oxyacetyl]piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H]1CCCN(C1)C(=O)C2=CC(=C(C(=C2)OCC)OC)C3=CC=CC=C3

DOS

IR

Vibrations