Geometry & MOs

Info

ID:	151114
PubChem CID:	53790812
Reduced:	O5N6C22H24 (1)
Stoich.:	A5B6C22D24 (1)
Weight, g/mol:	151.038176
ΔH_f, kcal/mol:	-8.2
Dipole, Da:	5.41
IP(EA), eV:	-9.85(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5H-pyrimido[4,5-b][1,4]oxazin-6-one

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCC#N)CCCCN=[N+]=[N-]

DOS

IR

Vibrations