Geometry & MOs

Info

ID:	182806
PubChem CID:	76939666
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-77.06
Dipole, Da:	4.79
IP(EA), eV:	-9.26(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(methoxymethyl)-2-(2-methoxyphenyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

COCC1CC(=O)NC(N1)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations