Geometry & MOs

Info

ID:	6867
PubChem CID:	70311
Reduced:	OC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	164.08373
ΔH_f, kcal/mol:	-80.88
Dipole, Da:	4.15
IP(EA), eV:	-8.98(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-5-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C=CC(=C1)C)O

DOS

IR

Vibrations