Geometry & MOs

Info

ID:	165428
PubChem CID:	74548497
Reduced:	N4O5H16C17 (1)
Stoich.:	A4B5C16D17 (1)
Weight, g/mol:	297.119895
ΔH_f, kcal/mol:	-64.85
Dipole, Da:	13.69
IP(EA), eV:	-9.34(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

ethyl 3-amino-7,7-dimethyl-8-nitroso-4-oxido-2,3-dihydro-1H-pyrano[3,4-b]pyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NNC(=O)C2=CC=C(C=C2)O

DOS

IR

Vibrations