Geometry & MOs

Info

ID:	168175
PubChem CID:	74932706
Reduced:	N4O10H28C33 (1)
Stoich.:	A4B10C28D33 (1)
Weight, g/mol:	259.178358
ΔH_f, kcal/mol:	-295.89
Dipole, Da:	9.15
IP(EA), eV:	-8.63(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trihydroxy-1-octylpiperidin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNN2C(=O)C3=C4C5=C(C=C(C=C5)O)NC4=C6C(=C3C2=O)C7=C(N6C8C(C(C(C(O8)CO)O)O)O)C=C(C=C7)O)O

DOS

IR

Vibrations