Geometry & MOs

Info

ID:	194066
PubChem CID:	78477056
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	298.078086
ΔH_f, kcal/mol:	96.73
Dipole, Da:	28.74
IP(EA), eV:	-5.9(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methylideneamino]-2-thiomorpholin-4-ium-4-ylacetamide

Drug info:

PubChemData

Smile

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC=C(O3)[N+](=O)[O-]

DOS

IR

Vibrations