Geometry & MOs

Info

ID:	439320
PubChem CID:	135229090
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-22.05
Dipole, Da:	4.96
IP(EA), eV:	-8.23(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)COC2=CN=C(N=C2NCCC=C)N)OC

DOS

IR

Vibrations