Geometry & MOs

Info

ID:	411599
PubChem CID:	135084431
Reduced:	NO2F3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-222.37
Dipole, Da:	6.54
IP(EA), eV:	-9.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,6-dihydroxy-4-methyl-3,5-bis(prop-2-enyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1=CC=C(C=C1)C(F)(F)F

DOS

IR

Vibrations