Geometry & MOs

Info

ID:	303864
PubChem CID:	124490345
Reduced:	ClO5C34H35 (1)
Stoich.:	AB5C34D35 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-111.45
Dipole, Da:	6.0
IP(EA), eV:	-9.11(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(1-benzyltriazol-4-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)Cl)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations