Geometry & MOs

Info

ID:	259744
PubChem CID:	103173440
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-15.14
Dipole, Da:	2.76
IP(EA), eV:	-8.45(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxypyridin-2-yl)pentan-3-one

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CN2CC3=C(C2)C(=CC=C3)N)OC

DOS

IR

Vibrations