Geometry & MOs

Info

ID:	12276
PubChem CID:	134033
Reduced:	ClON6C13H13 (1)
Stoich.:	ABC6D13E13 (1)
Weight, g/mol:	304.083937
ΔH_f, kcal/mol:	74.35
Dipole, Da:	1.92
IP(EA), eV:	-9.92(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CN2C=NC=N2)(CN3C=NC=N3)O)Cl

DOS

IR

Vibrations