Geometry & MOs

Info

ID:	13353
PubChem CID:	226752
Reduced:	O2C10H11 (2)
Stoich.:	A2B10C11 (2)
Weight, g/mol:	326.151809
ΔH_f, kcal/mol:	-154.04
Dipole, Da:	1.63
IP(EA), eV:	-8.97(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2,4-dimethylphenyl) butanedioate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(=O)CCC(=O)OC2=C(C=C(C=C2)C)C)C

DOS

IR

Vibrations