Geometry & MOs

Info

ID:	24909
PubChem CID:	614464
Reduced:	NO6C29H49 (1)
Stoich.:	AB6C29D49 (1)
Weight, g/mol:	507.355988
ΔH_f, kcal/mol:	-305.67
Dipole, Da:	2.89
IP(EA), eV:	-8.68(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(10-acetyloxy-3,7,9,11-tetramethyltridecyl)-5,6-dimethoxy-3-methylpyridin-4-yl] acetate

Drug info:

PubChemData

Smile

CCC(C)C(C(C)CC(C)CCCC(C)CCC1=C(C(=C(C(=N1)OC)OC)OC(=O)C)C)OC(=O)C

DOS

IR

Vibrations