Geometry & MOs

Info

ID:	281309
PubChem CID:	103913684
Reduced:	N2F3H9C14 (1)
Stoich.:	A2B3C9D14 (1)
Weight, g/mol:	304.00114
ΔH_f, kcal/mol:	-63.9
Dipole, Da:	4.9
IP(EA), eV:	-9.08(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C#N)F)CNC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations