Geometry & MOs

Info

ID:	391055
PubChem CID:	135002529
Reduced:	NO4C26H27 (1)
Stoich.:	AB4C26D27 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-84.74
Dipole, Da:	5.37
IP(EA), eV:	-8.69(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butyltriazol-1-yl)-1-phenylethanol

Drug info:

PubChemData

Smile

CC(C)(C)N=C1C2=C(C(=CC(=C2)OC)OC)C(O1)(C3=CC=CC=C3)OC4=CC=CC=C4

DOS

IR

Vibrations