Geometry & MOs

Info

ID:	374602
PubChem CID:	131341969
Reduced:	BrFNH9C10 (1)
Stoich.:	ABCD9E10 (1)
Weight, g/mol:	240.99024
ΔH_f, kcal/mol:	-6.29
Dipole, Da:	3.3
IP(EA), eV:	-9.91(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-4-fluorobutanenitrile

Drug info:

PubChemData

Smile

CC(C#N)C1=CC(=C(C=C1)CF)Br

DOS

IR

Vibrations