Geometry & MOs

Info

ID:	266510
PubChem CID:	103567994
Reduced:	FNO3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	237.100108
ΔH_f, kcal/mol:	-77.23
Dipole, Da:	4.62
IP(EA), eV:	-9.55(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethoxyethoxy)-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C#N)OCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations