Geometry & MOs

Info

ID:	52975
PubChem CID:	14709318
Reduced:	ClNO4C14H14 (1)
Stoich.:	ABC4D14E14 (1)
Weight, g/mol:	196.112624
ΔH_f, kcal/mol:	56.69
Dipole, Da:	11.6
IP(EA), eV:	-9.83(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(E)-1-phenylprop-1-en-2-yl]pyridin-1-ium

Drug info:

PubChemData

Smile

CC1=CC=[N+](C=C1)/C=C/C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations