Geometry & MOs

Info

ID:	403737
PubChem CID:	135061638
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	321.220498
ΔH_f, kcal/mol:	-68.17
Dipole, Da:	2.04
IP(EA), eV:	-9.23(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C=CC1=CC=CC=C1)C2=C(COC2)C=C

DOS

IR

Vibrations