Geometry & MOs

Info

ID:	26518
PubChem CID:	650805
Reduced:	OSN3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	230.02469
ΔH_f, kcal/mol:	-6.52
Dipole, Da:	4.42
IP(EA), eV:	-8.74(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-pyridin-2-yl-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1(CC2=C(CO1)SC3=NC=NC(=C23)N)C

DOS

IR

Vibrations