Geometry & MOs

Info

ID:	285046
PubChem CID:	104092927
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	58.49
Dipole, Da:	4.43
IP(EA), eV:	-9.5(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(3-hydroxypropyl)triazol-1-yl]ethyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=N2)C(=C1)N3C=C(N=N3)CCCO

DOS

IR

Vibrations