Geometry & MOs

Info

ID:	374360
PubChem CID:	131327415
Reduced:	BrFON2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	175.063329
ΔH_f, kcal/mol:	-9.52
Dipole, Da:	4.68
IP(EA), eV:	-9.59(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=NC(=O)C2CBr)F

DOS

IR

Vibrations