Geometry & MOs

Info

ID:	229369
PubChem CID:	87567492
Reduced:	ION3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	398.33961
ΔH_f, kcal/mol:	6.44
Dipole, Da:	5.38
IP(EA), eV:	-8.81(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(2-ethylbutyl)dodecanedioic acid

Drug info:

PubChemData

Smile

C/C=C/C1=CN=C(N=C1)N2CCC(CC2I)O

DOS

IR

Vibrations