Geometry & MOs

Info

ID:	281283
PubChem CID:	103913645
Reduced:	FN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	304.00114
ΔH_f, kcal/mol:	17.08
Dipole, Da:	3.65
IP(EA), eV:	-8.37(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromoanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NCC2=C(C(=CC=C2)C#N)F

DOS

IR

Vibrations