Geometry & MOs

Info

ID:	322917
PubChem CID:	126671574
Reduced:	ON3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-8.41
Dipole, Da:	3.82
IP(EA), eV:	-8.4(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-methyl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCC1CCN(C1=O)C2=NN(C=C2)C

DOS

IR

Vibrations