Geometry & MOs

Info

ID:	272260
PubChem CID:	103737110
Reduced:	ON2C5H9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	296.031232
ΔH_f, kcal/mol:	-56.9
Dipole, Da:	3.58
IP(EA), eV:	-10.11(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(C)(CNC(=O)CN1C=CN=N1)O

DOS

IR

Vibrations