Geometry & MOs

Info

ID:	198314
PubChem CID:	79084552
Reduced:	ClBr2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-42.79
Dipole, Da:	4.25
IP(EA), eV:	-9.26(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C(C2=C(C(=CC(=C2)Cl)Br)OC)Br

DOS

IR

Vibrations