Geometry & MOs

Info

ID:	441091
PubChem CID:	135233051
Reduced:	ON3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	156.089878
ΔH_f, kcal/mol:	16.5
Dipole, Da:	4.31
IP(EA), eV:	-9.36(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-aminobut-3-ynyl(methyl)amino]acetic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCC(=O)N1C2=NC=CC(=C2)C#N

DOS

IR

Vibrations