Geometry & MOs

Info

ID:	31113
PubChem CID:	854577
Reduced:	N2O3H14C19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-2.63
Dipole, Da:	4.15
IP(EA), eV:	-8.69(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dihydroxy-6-methylphenyl)-2-pyridin-2-ylethanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations