Geometry & MOs

Info

ID:	442343
PubChem CID:	135251446
Reduced:	N2O3C9H18 (1)
Stoich.:	A2B3C9D18 (1)
Weight, g/mol:	133.124313
ΔH_f, kcal/mol:	-150.34
Dipole, Da:	9.43
IP(EA), eV:	-9.58(0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

acetyl-(1,2-13C2)ethyl-(1,2,3-13C3)propylideneazanium

Drug info:

PubChemData

Smile

CN([13CH3])C([13CH2][13CH3])C(=O)NCCC(=O)O

DOS

IR

Vibrations