Geometry & MOs

Info

ID:	21697
PubChem CID:	589558
Reduced:	O4C31H60 (1)
Stoich.:	A4B31C60 (1)
Weight, g/mol:	496.44916
ΔH_f, kcal/mol:	-303.05
Dipole, Da:	3.41
IP(EA), eV:	-10.51(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-pentacosylbutanedioate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCCCCC(CC(=O)OC)C(=O)OC

DOS

IR

Vibrations