Geometry & MOs

Info

ID:	401876
PubChem CID:	135053179
Reduced:	OH5C6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	-72.8
Dipole, Da:	5.39
IP(EA), eV:	-8.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)hept-2-yn-1-one

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C(=C(O2)/C=C/C(=O)C3=CC=CC=C3O)C)C4=CC=CC=C41

DOS

IR

Vibrations