Geometry & MOs

Info

ID:

229677

PubChem CID:

87568409

Reduced:

ClNOH21C23 (1)

Stoich.:

ABCD21E23 (1)

Weight, g/mol:

300.23006

ΔHf, kcal/mol:

40.31

Dipole, Da:

5.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.085907

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-ethylbutyl)-2-methyldecanedioic acid

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)[N+]1(CCC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations