Geometry & MOs

Info

ID:	183236
PubChem CID:	76995710
Reduced:	ClN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	252.102941
ΔH_f, kcal/mol:	-105.32
Dipole, Da:	3.25
IP(EA), eV:	-8.64(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2NC(CC(=O)N2)CCl)OC

DOS

IR

Vibrations