Geometry & MOs

Info

ID:	25754
PubChem CID:	630486
Reduced:	NO5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	214.123189
ΔH_f, kcal/mol:	-171.33
Dipole, Da:	3.59
IP(EA), eV:	-8.82(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	-5

Chem-info

IUPAC name:

1-[benzyl(cyclopentyl)amino]ethanolate

Drug info:

PubChemData

Smile

COC1CCC23C(C1)N(CC2O)CC4=C(C5=C(C=C34)OCO5)OC

DOS

IR

Vibrations