Geometry & MOs

Info

ID:	182804
PubChem CID:	76939664
Reduced:	ClNO2H10C12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-7.56
Dipole, Da:	5.55
IP(EA), eV:	-9.49(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=CC(=O)C2=CC(=CC(=C)C2=N1)Cl

DOS

IR

Vibrations