Geometry & MOs

Info

ID:	58333
PubChem CID:	24697828
Reduced:	FN3C14H20 (1)
Stoich.:	AB3C14D20 (1)
Weight, g/mol:	317.9804
ΔH_f, kcal/mol:	-23.68
Dipole, Da:	4.15
IP(EA), eV:	-8.9(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-cyanophenyl)-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=C(C=C(C=C2)C(=N)N)F

DOS

IR

Vibrations