Geometry & MOs

Info

ID:	438462
PubChem CID:	135228203
Reduced:	BrN2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	226.085461
ΔH_f, kcal/mol:	46.05
Dipole, Da:	6.13
IP(EA), eV:	-10.29(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-aminopyridin-4-yl)oxymethyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CCCC1=CN=C(C=C1CBr)C#N

DOS

IR

Vibrations