Geometry & MOs

Info

ID:	271660
PubChem CID:	103687708
Reduced:	NSO3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-91.86
Dipole, Da:	2.23
IP(EA), eV:	-8.76(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,5-dihydroxybenzoyl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC(=O)C2=C(C=CC(=C2)O)O

DOS

IR

Vibrations