Geometry & MOs

Info

ID:	334194
PubChem CID:	127252746
Reduced:	NO6H17C26 (1)
Stoich.:	AB6C17D26 (1)
Weight, g/mol:	535.23185
ΔH_f, kcal/mol:	-126.6
Dipole, Da:	7.38
IP(EA), eV:	-9.07(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-N-[3-oxo-3-(2-pyridin-3-ylpiperidin-1-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C4=C(C=C3)OC(=O)CC4C5=CC6=CC=CC=C6NC5=O

DOS

IR

Vibrations