Geometry & MOs

Info

ID:	29421
PubChem CID:	833698
Reduced:	NSCl2O2H7C14 (1)
Stoich.:	ABC2D2E7F14 (1)
Weight, g/mol:	185.068808
ΔH_f, kcal/mol:	4.01
Dipole, Da:	3.67
IP(EA), eV:	-9.35(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-5-ethyl-6-hydroxy-1,3-oxazin-4-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)/C=C/2\C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations