Geometry & MOs

Info

ID:	286167
PubChem CID:	104157887
Reduced:	ClFNOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	310.01393
ΔH_f, kcal/mol:	-49.47
Dipole, Da:	5.54
IP(EA), eV:	-8.8(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(3-methylsulfanylcyclopentyl)amino]benzonitrile

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CNCC3=CC(=CC=C3)F)Cl

DOS

IR

Vibrations