Geometry & MOs

Info

ID:	263183
PubChem CID:	103343692
Reduced:	O5C16H20 (1)
Stoich.:	A5B16C20 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-187.67
Dipole, Da:	5.3
IP(EA), eV:	-8.59(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-3-[(5-methylpyridin-3-yl)methyl]pentan-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCCC2(CCOC2=O)C(=O)C

DOS

IR

Vibrations