Geometry & MOs

Info

ID:	213025
PubChem CID:	81062549
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-86.23
Dipole, Da:	3.39
IP(EA), eV:	-8.98(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-ethoxyethyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=CC(=C(S1)C#CCCO)C

DOS

IR

Vibrations