Geometry & MOs

Info

ID:	374942
PubChem CID:	131407524
Reduced:	SBr2F3H5C10 (1)
Stoich.:	AB2C3D5E10 (1)
Weight, g/mol:	198.090546
ΔH_f, kcal/mol:	-115.35
Dipole, Da:	2.94
IP(EA), eV:	-9.37(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-phenylimidazol-2-yl)amino]acetonitrile

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1C(F)(F)F)C=C(S2)Br)CBr

DOS

IR

Vibrations