Geometry & MOs

Info

ID:	372272
PubChem CID:	131295275
Reduced:	FO4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	224.99016
ΔH_f, kcal/mol:	-179.92
Dipole, Da:	4.87
IP(EA), eV:	-9.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromopyridin-2-yl)-methylamino]acetonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)C(=O)OC)O)F

DOS

IR

Vibrations