Geometry & MOs

Info

ID:	199894
PubChem CID:	79315021
Reduced:	OSN3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	257.210327
ΔH_f, kcal/mol:	30.58
Dipole, Da:	4.37
IP(EA), eV:	-8.68(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanoate

Drug info:

PubChemData

Smile

CN1CCCC1CN(C)C(=O)C2=CC=C(S2)C#CCN

DOS

IR

Vibrations