Geometry & MOs

Info

ID:	216470
PubChem CID:	85086285
Reduced:	O7C12H16 (1)
Stoich.:	A7B12C16 (1)
Weight, g/mol:	272.09094
ΔH_f, kcal/mol:	-312.63
Dipole, Da:	2.31
IP(EA), eV:	-10.12(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-methyl-4-oxo-9aH-triazolo[1,5-a]quinoxaline-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC1CC(C(C1OC(=O)C)OC(=O)C)C=O

DOS

IR

Vibrations