Geometry & MOs

Info

ID:	212352
PubChem CID:	81060246
Reduced:	BrN3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	59.58
Dipole, Da:	2.79
IP(EA), eV:	-9.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations