Geometry & MOs

Info

ID:	146655
PubChem CID:	53726044
Reduced:	NO5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	243.071785
ΔH_f, kcal/mol:	-135.3
Dipole, Da:	6.76
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethenylphenyl)methylsulfanyl]-1-oxidopyridin-1-ium

Drug info:

PubChemData

Smile

COC(=O)CC(=O)C=CC1=CC2=C(C=C1)OCCN2C(=O)C3=CC=CC=C3

DOS

IR

Vibrations