Geometry & MOs

Info

ID:	403770
PubChem CID:	135061783
Reduced:	OS2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	349.251798
ΔH_f, kcal/mol:	-32.39
Dipole, Da:	1.05
IP(EA), eV:	-8.65(0.19)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[2,6-di(propan-2-yl)phenyl]-4-phenyl-3-propan-2-yl-2H-triazole-1,3-diium

Drug info:

PubChemData

Smile

CC(=O)C[C@@H](C1SCCCS1)C2=CC=CC=C2

DOS

IR

Vibrations