Geometry & MOs

Info

ID:	183235
PubChem CID:	76995612
Reduced:	ClSN2O2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	284.09277
ΔH_f, kcal/mol:	-46.93
Dipole, Da:	0.96
IP(EA), eV:	-9.46(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(chloromethyl)-2-(3,4-dimethoxyphenyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C=CC2=CC=C(S2)Cl

DOS

IR

Vibrations