Geometry & MOs

Info

ID:	212825
PubChem CID:	81061908
Reduced:	S2N3O3C9H15 (1)
Stoich.:	A2B3C3D9E15 (1)
Weight, g/mol:	227.199762
ΔH_f, kcal/mol:	-82.13
Dipole, Da:	7.95
IP(EA), eV:	-8.9(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile

Drug info:

PubChemData

Smile

CCOCCN(C)C1=NN=C(S1)SCC(=O)O

DOS

IR

Vibrations