Geometry & MOs

Info

ID:	24153
PubChem CID:	608089
Reduced:	ClO2N3H6C7 (1)
Stoich.:	AB2C3D6E7 (1)
Weight, g/mol:	199.014854
ΔH_f, kcal/mol:	-41.4
Dipole, Da:	1.04
IP(EA), eV:	-9.55(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methyl-8H-pyrimido[5,4-b][1,4]oxazin-7-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=N1)Cl)OCC(=O)N2

DOS

IR

Vibrations