Geometry & MOs

Info

ID:	197319
PubChem CID:	78952004
Reduced:	FSO2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	250.128155
ΔH_f, kcal/mol:	-85.96
Dipole, Da:	1.55
IP(EA), eV:	-8.77(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-4-[(1-methylcyclopentyl)methylamino]benzonitrile

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC=C1SCC2=CC=CO2)F)O

DOS

IR

Vibrations