Geometry & MOs

Info

ID:	409020
PubChem CID:	135081794
Reduced:	ClNO5H28C30 (1)
Stoich.:	ABC5D28E30 (1)
Weight, g/mol:	418.21709
ΔH_f, kcal/mol:	60.94
Dipole, Da:	10.08
IP(EA), eV:	-8.45(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-[(2,6-diphenylpyran-4-ylidene)methyl]-7,8-dihydro-6H-naphthalen-2-ylidene]-dimethylazanium

Drug info:

PubChemData

Smile

C[N+](=C1C=CC2=C(CCCC2=C1)C=C3C=C(OC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations