Geometry & MOs

Info

ID:	373872
PubChem CID:	131320880
Reduced:	BrOF4H5C9 (1)
Stoich.:	ABC4D5E9 (1)
Weight, g/mol:	222.055991
ΔH_f, kcal/mol:	-220.74
Dipole, Da:	3.09
IP(EA), eV:	-10.63(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)propanenitrile

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1Br)F)C(F)(F)F

DOS

IR

Vibrations