Geometry & MOs

Info

ID:	293135
PubChem CID:	117374714
Reduced:	SN2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	246.91997
ΔH_f, kcal/mol:	16.13
Dipole, Da:	3.08
IP(EA), eV:	-8.1(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3-chloro-5-fluorophenyl)acetonitrile

Drug info:

PubChemData

Smile

CN1CC(CC1C2=CC3=C(CCS3)C=C2)CN

DOS

IR

Vibrations