Geometry & MOs

Info

ID:	439374
PubChem CID:	135229147
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-17.38
Dipole, Da:	3.96
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-4-oxo-3-phenylmethoxypyridin-1-yl)propanal

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CCC2=CN=C(N=C2N)N)OC

DOS

IR

Vibrations