Geometry & MOs

Info

ID:	144936
PubChem CID:	53434354
Reduced:	ClFO2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-79.62
Dipole, Da:	3.72
IP(EA), eV:	-9.29(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-methoxyethyl)phenyl]propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCC=O)OC2=CC(=C(C=C2)Cl)F

DOS

IR

Vibrations