Geometry & MOs

Info

ID:	224908
PubChem CID:	85676910
Reduced:	NO2F3H7C13 (2)
Stoich.:	AB2C3D7E13 (2)
Weight, g/mol:	274.178024
ΔH_f, kcal/mol:	-320.27
Dipole, Da:	3.59
IP(EA), eV:	-9.24(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-hydroxydodecanedioate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC(=CO2)C(F)(F)F)C3=NC(=C(O3)OC4=CC=C(C=C4)C5=CC=C(C=C5)O)C(F)(F)F

DOS

IR

Vibrations