Geometry & MOs

Info

ID:	433033
PubChem CID:	135173170
Reduced:	NCl2O6C58H77 (1)
Stoich.:	AB2C6D58E77 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-155.55
Dipole, Da:	2.71
IP(EA), eV:	-8.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,4-dimethylpentyl)-4-methyloxolane-2,5-dione

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC1C(O1)OC(COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)O)COC(=O)CC2=CC=CC=C2NC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations