Geometry & MOs

Info

ID:	325645
PubChem CID:	126684312
Reduced:	NO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	305.067449
ΔH_f, kcal/mol:	-71.16
Dipole, Da:	1.62
IP(EA), eV:	-8.2(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-fluoro-4-(4-phenylphenyl)phenyl] thiocyanate

Drug info:

PubChemData

Smile

COC(=O)CCC1=CC=CCN1

DOS

IR

Vibrations