Geometry & MOs

Info

ID:	266459
PubChem CID:	103567106
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	291.046235
ΔH_f, kcal/mol:	-94.39
Dipole, Da:	6.48
IP(EA), eV:	-9.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC1(CCC(O1)COC2=CC(=CC(=C2)OC)C#N)C

DOS

IR

Vibrations