Geometry & MOs

Info

ID:	211556
PubChem CID:	81044367
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	300.241293
ΔH_f, kcal/mol:	-70.21
Dipole, Da:	4.58
IP(EA), eV:	-9.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[2-ethoxyethyl(methyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)C1=CC=C(C=C1)C#CCN

DOS

IR

Vibrations