Geometry & MOs

Info

ID:	84554
PubChem CID:	49867870
Reduced:	O2N6C11H16 (1)
Stoich.:	A2B6C11D16 (1)
Weight, g/mol:	187.011687
ΔH_f, kcal/mol:	-29.05
Dipole, Da:	12.44
IP(EA), eV:	-8.65(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5Z)-6-hydroxy-5-nitro-2-oxohexa-3,5-dienoic acid

Drug info:

PubChemData

Smile

C1=NC2=C(N1)C(=NC=N2)NCCCC[C@@H](C(=O)O)N

DOS

IR

Vibrations