Geometry & MOs

Info

ID:	21862
PubChem CID:	592853
Reduced:	NO5C23H37 (1)
Stoich.:	AB5C23D37 (1)
Weight, g/mol:	407.267173
ΔH_f, kcal/mol:	-252.27
Dipole, Da:	5.86
IP(EA), eV:	-8.68(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(11-acetyloxydodecyl)-3-methoxy-2-methylpyridin-4-yl] acetate

Drug info:

PubChemData

Smile

CC1=NC(=CC(=C1OC)OC(=O)C)CCCCCCCCCCC(C)OC(=O)C

DOS

IR

Vibrations