Geometry & MOs

Info

ID:	334823
PubChem CID:	127253629
Reduced:	O3H10C13 (2)
Stoich.:	A3B10C13 (2)
Weight, g/mol:	493.221286
ΔH_f, kcal/mol:	-127.66
Dipole, Da:	4.46
IP(EA), eV:	-8.48(-1.35)
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-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(O2)C4=C(C=C3)OC(=O)CC4C5=CC=CC=C5)OC

DOS

IR

Vibrations