Geometry & MOs

Info

ID:	206741
PubChem CID:	80293703
Reduced:	BrO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	228.064726
ΔH_f, kcal/mol:	35.56
Dipole, Da:	6.66
IP(EA), eV:	-8.2(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-cyanoimidazol-1-yl)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)OCCN\2C=CN/C2=C(/N)\N=O

DOS

IR

Vibrations