Geometry & MOs

Info

ID:

173809

PubChem CID:

75686392

Reduced:

O2N4C22H27 (1)

Stoich.:

A2B4C22D27 (1)

Weight, g/mol:

343.04856

ΔHf, kcal/mol:

-14.4

Dipole, Da:

7.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.209018

Charge, e:

 -1

Chem-info

IUPAC name:

5-benzoyl-3-(3-chlorophenyl)-2,6-dioxo-1,3-diazinan-4-olate

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations