Geometry & MOs

Info

ID:	229769
PubChem CID:	87568895
Reduced:	OPbC12H25 (1)
Stoich.:	ABC12D25 (1)
Weight, g/mol:	300.23006
ΔH_f, kcal/mol:	-59.67
Dipole, Da:	2.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.781263
Charge, e:	0

Chem-info

IUPAC name:

4-O-(2-butyloctyl) 1-O-methyl butanedioate

Drug info:

PubChemData

Smile

CCCCCCC(CCCC)C(O)[Pb]

DOS

IR

Vibrations