Geometry & MOs

Info

ID:	201566
PubChem CID:	79557292
Reduced:	BrIN2O2H8C10 (1)
Stoich.:	ABC2D2E8F10 (1)
Weight, g/mol:	313.20755
ΔH_f, kcal/mol:	27.85
Dipole, Da:	3.38
IP(EA), eV:	-9.11(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(cyclopentylmethylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(C(=NO2)N)I)Br

DOS

IR

Vibrations