Geometry & MOs

Info

ID:	23445
PubChem CID:	603582
Reduced:	ClN3O3C7H10 (1)
Stoich.:	AB3C3D7E10 (1)
Weight, g/mol:	219.041069
ΔH_f, kcal/mol:	-100.21
Dipole, Da:	4.32
IP(EA), eV:	-10.56(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloroethyl)-4,6-dimethoxy-1,3,5-triazin-2-one

Drug info:

PubChemData

Smile

COC1=NC(=O)N(C(=N1)OC)CCCl

DOS

IR

Vibrations