Geometry & MOs

Info

ID:	26053
PubChem CID:	637169
Reduced:	O5H22C27 (1)
Stoich.:	A5B22C27 (1)
Weight, g/mol:	421.225308
ΔH_f, kcal/mol:	-95.87
Dipole, Da:	3.8
IP(EA), eV:	-9.3(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-(4-hydroxyphenyl)-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl]-1H-pyridin-4-one

Drug info:

PubChemData

Smile

COC(=O)[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)C3=C(O/C(=C\C4=CC=CC=C4)/C3=O)O

DOS

IR

Vibrations