Geometry & MOs

Info

ID:	401877
PubChem CID:	135053180
Reduced:	O4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	310.120509
ΔH_f, kcal/mol:	-110.52
Dipole, Da:	4.92
IP(EA), eV:	-8.61(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC#CC(=O)C1=C(C(=C(C(=C1O)C)OC)C)OC

DOS

IR

Vibrations