Geometry & MOs

Info

ID:	182807
PubChem CID:	76939667
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	222.111676
ΔH_f, kcal/mol:	-100.0
Dipole, Da:	6.42
IP(EA), eV:	-9.19(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1CC(=O)NC(N1)C2=CC=CC=C2OC

DOS

IR

Vibrations