Geometry & MOs

Info

ID:	29327
PubChem CID:	832981
Reduced:	N2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	295.080435
ΔH_f, kcal/mol:	-82.28
Dipole, Da:	3.69
IP(EA), eV:	-8.81(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[3-(dihydroxyamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)NN=C(C(=O)C)C(=O)C

DOS

IR

Vibrations