Geometry & MOs

Info

ID:	24907
PubChem CID:	614462
Reduced:	NO5C27H45 (1)
Stoich.:	AB5C27D45 (1)
Weight, g/mol:	463.329774
ΔH_f, kcal/mol:	-249.73
Dipole, Da:	2.76
IP(EA), eV:	-8.78(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3-dimethoxy-5-methyl-6-(3,7,9,11-tetramethyl-10-oxotridecyl)pyridin-4-yl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations