Geometry & MOs

Info

ID:	292835
PubChem CID:	117360444
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	243.089327
ΔH_f, kcal/mol:	39.22
Dipole, Da:	4.89
IP(EA), eV:	-8.66(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(difluoromethylsulfanyl)phenyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CN1CCC(C1)C2=CC=C(C=C2)C3=C(ON=C3)N

DOS

IR

Vibrations