Geometry & MOs

Info

ID:	395335
PubChem CID:	135025210
Reduced:	O4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	285.06689
ΔH_f, kcal/mol:	-177.11
Dipole, Da:	3.78
IP(EA), eV:	-10.08(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-5-(4-methylphenyl)-1-oxidotriazol-1-ium

Drug info:

PubChemData

Smile

CCOC(=O)/C=C\1/[C@@H](CC[C@H](C1OC(=O)C2=CC=CC=C2)C(C)C)C

DOS

IR

Vibrations