Geometry & MOs

Info

ID:	191621
PubChem CID:	78168786
Reduced:	BrO3N7C24H29 (1)
Stoich.:	AB3C7D24E29 (1)
Weight, g/mol:	266.931373
ΔH_f, kcal/mol:	-0.08
Dipole, Da:	6.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.794888
Charge, e:	0

Chem-info

IUPAC name:

4,6-bis(dichloromethyl)-1,3,5-triazinan-2-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)Br.CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2

DOS

IR

Vibrations