Geometry & MOs

Info

ID:	372273
PubChem CID:	131295288
Reduced:	BrN3C8H8 (1)
Stoich.:	AB3C8D8 (1)
Weight, g/mol:	224.99016
ΔH_f, kcal/mol:	67.53
Dipole, Da:	3.25
IP(EA), eV:	-9.55(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromopyridin-2-yl)amino]propanenitrile

Drug info:

PubChemData

Smile

CN(CC#N)C1=C(C=CC=N1)Br

DOS

IR

Vibrations