Geometry & MOs

Info

ID:	229517
PubChem CID:	87567907
Reduced:	NO4H10C12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	380.044296
ΔH_f, kcal/mol:	-13.01
Dipole, Da:	8.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779733
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-methylpyridine-3-carboxylic acid;2-(6-chloro-2-methylpyridin-3-yl)-5-methyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)[N+](=O)[O-])/C(=C/C(=O)[O-])/C1

DOS

IR

Vibrations