Geometry & MOs

Info

ID:	183244
PubChem CID:	76998185
Reduced:	ClON3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-43.01
Dipole, Da:	2.03
IP(EA), eV:	-9.44(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-ethyl-2-(phenoxymethyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC1C(NC(NC1=O)CC2=CC=C(C=C2)Cl)N

DOS

IR

Vibrations