Geometry & MOs

Info

ID:	213026
PubChem CID:	81062558
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	-38.11
Dipole, Da:	3.54
IP(EA), eV:	-8.96(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylamino)-4-[2-ethoxyethyl(methyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCNC1(CCC(C1)N(C)CCOCC)C#N

DOS

IR

Vibrations