Geometry & MOs

Info

ID:	190826
PubChem CID:	78065284
Reduced:	O3N6C10H12 (1)
Stoich.:	A3B6C10D12 (1)
Weight, g/mol:	273.007182
ΔH_f, kcal/mol:	6.33
Dipole, Da:	2.77
IP(EA), eV:	-8.76(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dichlorophenyl)methyl]-1,2,4-triazinane-3,5-dione

Drug info:

PubChemData

Smile

CN1C2=NC=[N+](C2C(=O)N(C1=O)C)CC(=C[N+]#N)O

DOS

IR

Vibrations