Geometry & MOs

Info

ID:	48139
PubChem CID:	10537402
Reduced:	N2O3H10C12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	230.080376
ΔH_f, kcal/mol:	-35.71
Dipole, Da:	4.51
IP(EA), eV:	-10.24(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-(1-methyl-4-nitroimidazol-2-yl)ethenyl]pyridine

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1[C@@](OC=N1)(C#N)C2=CC=CC=C2

DOS

IR

Vibrations