Geometry & MOs

Info

ID:	207812
PubChem CID:	80452761
Reduced:	FN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	271.11209
ΔH_f, kcal/mol:	-47.98
Dipole, Da:	7.75
IP(EA), eV:	-8.36(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-1-pyridin-2-ylpropoxy)-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N)OCCOC2=CC(=C(C=C2)C#N)F

DOS

IR

Vibrations