Geometry & MOs

Info

ID:	20966
PubChem CID:	586459
Reduced:	O2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	-144.82
Dipole, Da:	2.83
IP(EA), eV:	-8.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CC(=O)CO)O

DOS

IR

Vibrations