Geometry & MOs

Info

ID:	395429
PubChem CID:	135025440
Reduced:	O2H20C21 (1)
Stoich.:	A2B20C21 (1)
Weight, g/mol:	321.06689
ΔH_f, kcal/mol:	25.52
Dipole, Da:	0.89
IP(EA), eV:	-8.28(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-5-naphthalen-2-yl-1-oxidotriazol-1-ium

Drug info:

PubChemData

Smile

CC(=C)[C@H]1COC2=C([C@H]1C#CC3=CC=CC=C3)C=C(C=C2)OC

DOS

IR

Vibrations