Geometry & MOs

Info

ID:	262304
PubChem CID:	103283625
Reduced:	ClOSN2C8H13 (1)
Stoich.:	ABCD2E8F13 (1)
Weight, g/mol:	221.121592
ΔH_f, kcal/mol:	-13.51
Dipole, Da:	3.11
IP(EA), eV:	-9.07(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-(2-methylpentoxy)benzonitrile

Drug info:

PubChemData

Smile

CCCC(C)COC1=NSN=C1Cl

DOS

IR

Vibrations