Geometry & MOs

Info

ID:	419389
PubChem CID:	135108106
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-132.9
Dipole, Da:	4.87
IP(EA), eV:	-8.23(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-oxo-2-piperidin-1-ylethoxy)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)C4=C(C=CC(=C4)O)N)OCC2

DOS

IR

Vibrations