Geometry & MOs

Info

ID:	383736
PubChem CID:	134975623
Reduced:	NCl3H6C10 (1)
Stoich.:	AB3C6D10 (1)
Weight, g/mol:	265.01023
ΔH_f, kcal/mol:	50.67
Dipole, Da:	3.78
IP(EA), eV:	-10.08(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-3-propan-2-yloxirane-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C#N)(/C(=C\Cl)/Cl)Cl

DOS

IR

Vibrations