Geometry & MOs

Info

ID:	291481
PubChem CID:	112719412
Reduced:	ClON3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	225.062363
ΔH_f, kcal/mol:	-8.78
Dipole, Da:	4.03
IP(EA), eV:	-9.08(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-fluoro-2-methoxyphenyl)propyl thiocyanate

Drug info:

PubChemData

Smile

CCC(CC1=CN(N=N1)CC)C2=C(C(=CC(=C2C)Cl)C)OC

DOS

IR

Vibrations