Geometry & MOs

Info

ID:	298916
PubChem CID:	117664335
Reduced:	ClO4H15C17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-124.06
Dipole, Da:	0.69
IP(EA), eV:	-9.0(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-methoxy-6-[(E)-2-(3-methoxypyridin-2-yl)ethenyl]-3-(3-methylbut-3-enyl)benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)O)C(=O)OC)/C=C/C2=CC=CC=C2)Cl

DOS

IR

Vibrations