Geometry & MOs

Info

ID:	201802
PubChem CID:	79586909
Reduced:	NO3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	297.230394
ΔH_f, kcal/mol:	-177.02
Dipole, Da:	4.38
IP(EA), eV:	-9.11(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-cyclohexyloxyethyl)-1-(ethylamino)cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCCNC1(CCCC1CCOC2CCCCC2)C(=O)O

DOS

IR

Vibrations