Geometry & MOs

Info

ID:	149288
PubChem CID:	53788960
Reduced:	NO4C24H29 (1)
Stoich.:	AB4C24D29 (1)
Weight, g/mol:	196.144987
ΔH_f, kcal/mol:	-117.24
Dipole, Da:	5.86
IP(EA), eV:	-8.08(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

azepan-1-yl-methylidene-(2-oxoazetidin-3-yl)azanium

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C(=C1)OCC)C3=C(C2=O)C=CC=C3OCCCC4CCNC4

DOS

IR

Vibrations