Geometry & MOs

Info

ID:	197327
PubChem CID:	78952720
Reduced:	FN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	322.97573
ΔH_f, kcal/mol:	-82.53
Dipole, Da:	5.94
IP(EA), eV:	-9.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromo-4-fluorophenyl)methoxy]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)COC2=CC(=C(C=C2)C#N)F

DOS

IR

Vibrations