Geometry & MOs

Info

ID:	279323
PubChem CID:	103843063
Reduced:	BrF2N2O2C12H13 (1)
Stoich.:	AB2C2D2E12F13 (1)
Weight, g/mol:	339.9823
ΔH_f, kcal/mol:	-144.77
Dipole, Da:	5.3
IP(EA), eV:	-8.99(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromo-2,5-difluoroanilino)methyl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CNC2=CC(=C(C=C2F)Br)F

DOS

IR

Vibrations