Geometry & MOs

Info

ID:	201798
PubChem CID:	79586787
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	282.120213
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	4.56
IP(EA), eV:	-9.2(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1OCCC2CCCC2(C(=O)O)N

DOS

IR

Vibrations