Geometry & MOs

Info

ID:	11337
PubChem CID:	114130
Reduced:	ClNH18C19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	295.112777
ΔH_f, kcal/mol:	58.55
Dipole, Da:	8.92
IP(EA), eV:	-9.25(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-benzylphenyl)methyl]pyridin-1-ium;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations