Geometry & MOs

Info

ID:	191944
PubChem CID:	78207332
Reduced:	NO3H7C11 (1)
Stoich.:	AB3C7D11 (1)
Weight, g/mol:	233.068808
ΔH_f, kcal/mol:	-43.97
Dipole, Da:	4.17
IP(EA), eV:	-9.94(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-oxo-8aH-1,4-benzoxazin-2-ylidene)acetate

Drug info:

PubChemData

Smile

CC(=O)C1=NC(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations