Geometry & MOs

Info

ID:	133447
PubChem CID:	51529104
Reduced:	SN2C11H20 (1)
Stoich.:	AB2C11D20 (1)
Weight, g/mol:	290.069629
ΔH_f, kcal/mol:	0.85
Dipole, Da:	5.76
IP(EA), eV:	-8.27(0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-[amino(pyridin-4-yl)methylidene]-[2-(4-chlorophenyl)acetyl]oxyazanium

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=S)NC2CC2)C

DOS

IR

Vibrations