Geometry & MOs

Info

ID:	264563
PubChem CID:	103469795
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	292.080769
ΔH_f, kcal/mol:	-42.19
Dipole, Da:	6.91
IP(EA), eV:	-8.84(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-cyano-5-nitropyridin-2-yl)amino]oxane-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OCCOC1=C(C=C(C=N1)C#N)N

DOS

IR

Vibrations