Geometry & MOs

Info

ID:	9039
PubChem CID:	85535
Reduced:	OC13H26 (2)
Stoich.:	AB13C26 (2)
Weight, g/mol:	396.396731
ΔH_f, kcal/mol:	-208.2
Dipole, Da:	1.68
IP(EA), eV:	-10.37(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

docosyl 2-methylpropanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(C)C

DOS

IR

Vibrations