Geometry & MOs

Info

ID:	225961
PubChem CID:	87246490
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	127.050752
ΔH_f, kcal/mol:	-13.68
Dipole, Da:	2.97
IP(EA), eV:	-8.73(1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-oxo-5,6-dihydro-1H-1,4-diazepin-4-ium-7-one

Drug info:

PubChemData

Smile

CN1CCC(C1=O)(CN2CCCCC2)C#C

DOS

IR

Vibrations