Geometry & MOs

Info

ID:	373627
PubChem CID:	131318024
Reduced:	BrFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	284.98007
ΔH_f, kcal/mol:	-65.48
Dipole, Da:	1.9
IP(EA), eV:	-9.12(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

C1COCCN1C(CF)C2=CC(=CC=C2)Br

DOS

IR

Vibrations