Geometry & MOs

Info

ID:	29787
PubChem CID:	837270
Reduced:	NOCl2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-22.99
Dipole, Da:	3.9
IP(EA), eV:	-9.45(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-cyclopentylpropanoylamino)benzoate

Drug info:

PubChemData

Smile

C1C[C@H](C2=CC=CC=C2C1)NC(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations