Geometry & MOs

Info

ID:	192374
PubChem CID:	78262743
Reduced:	OCl2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	350.070116
ΔH_f, kcal/mol:	5.23
Dipole, Da:	2.45
IP(EA), eV:	-9.29(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC2NC(=O)C(NN2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations