Geometry & MOs

Info

ID:	444068
PubChem CID:	135261211
Reduced:	ClN2O3C8H11 (1)
Stoich.:	AB2C3D8E11 (1)
Weight, g/mol:	171.019939
ΔH_f, kcal/mol:	-141.62
Dipole, Da:	3.44
IP(EA), eV:	-9.84(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazine

Drug info:

PubChemData

Smile

C1=CC(=NC=C1O)C[C@@H](C(=O)O)N.Cl

DOS

IR

Vibrations