Geometry & MOs

Info

ID:	298478
PubChem CID:	117650117
Reduced:	N3O5C28H29 (1)
Stoich.:	A3B5C28D29 (1)
Weight, g/mol:	165.078979
ΔH_f, kcal/mol:	-114.13
Dipole, Da:	3.03
IP(EA), eV:	-9.12(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxy-6-methylpyridin-2-yl)ethanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)N2CCC3(CC2)C4=CC=C(N4C5=CC=CC=C5O3)C#N)CC[C@H](CO)O

DOS

IR

Vibrations