Geometry & MOs

Info

ID:	403772
PubChem CID:	135061786
Reduced:	NO2H25C30 (1)
Stoich.:	AB2C25D30 (1)
Weight, g/mol:	467.330048
ΔH_f, kcal/mol:	36.91
Dipole, Da:	3.12
IP(EA), eV:	-8.25(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=CC(=C2)[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations