Geometry & MOs

Info

ID:	22144
PubChem CID:	596087
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	-86.46
Dipole, Da:	2.8
IP(EA), eV:	-8.84(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-hydroxy-2,3,4-trimethylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=C1C)O)C(=O)C)C

DOS

IR

Vibrations