Geometry & MOs

Info

ID:	212320
PubChem CID:	81060132
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	276.046569
ΔH_f, kcal/mol:	-26.63
Dipole, Da:	2.76
IP(EA), eV:	-9.79(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-4-fluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CCCC(C1)OC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations