Geometry & MOs

Info

ID:	199696
PubChem CID:	79283042
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	255.121906
ΔH_f, kcal/mol:	-61.94
Dipole, Da:	2.49
IP(EA), eV:	-9.01(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

C#CCN(CC(=O)O)C(=O)N1CCN(CC1)C2CC2

DOS

IR

Vibrations