Geometry & MOs

Info

ID:	336994
PubChem CID:	127256559
Reduced:	NO2C14H19 (2)
Stoich.:	AB2C14D19 (2)
Weight, g/mol:	457.878246
ΔH_f, kcal/mol:	-75.33
Dipole, Da:	2.83
IP(EA), eV:	-5.09(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-bis(2,4,5-trichlorophenyl)pentane-1,5-dione

Drug info:

PubChemData

Smile

C[N+]1(CCC(CC1)O)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+]4(CCC(CC4)O)C

DOS

IR

Vibrations