Geometry & MOs

Info

ID:	285049
PubChem CID:	104093182
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	265.153875
ΔH_f, kcal/mol:	0.08
Dipole, Da:	5.83
IP(EA), eV:	-9.54(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN2C=C(N=N2)CCCO

DOS

IR

Vibrations