Geometry & MOs

Info

ID:	192373
PubChem CID:	78262742
Reduced:	BrClON4C16H16 (1)
Stoich.:	ABCD4E16F16 (1)
Weight, g/mol:	364.085767
ΔH_f, kcal/mol:	18.71
Dipole, Da:	4.63
IP(EA), eV:	-8.81(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2-methylanilino)-6-[(2-chlorophenyl)methyl]-1,2,4-triazinan-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC2C(=O)NC(NN2)NC3=CC=C(C=C3)Br)Cl

DOS

IR

Vibrations