Geometry & MOs

Info

ID:	52988
PubChem CID:	14709350
Reduced:	ClNO5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	313.0717
ΔH_f, kcal/mol:	29.67
Dipole, Da:	21.7
IP(EA), eV:	-9.36(-2.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylphenyl)-2-pyridin-1-ium-1-ylethanol;perchlorate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations