Geometry & MOs

Info

ID:	375403
PubChem CID:	131500210
Reduced:	OBr2N2C10H10 (1)
Stoich.:	AB2C2D10E10 (1)
Weight, g/mol:	191.074642
ΔH_f, kcal/mol:	18.99
Dipole, Da:	3.61
IP(EA), eV:	-9.37(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoropropan-2-yl)benzoyl cyanide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)[C@@H](CC#N)N)Br

DOS

IR

Vibrations