Geometry & MOs

Info

ID:	28415
PubChem CID:	827450
Reduced:	N2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	317.996283
ΔH_f, kcal/mol:	-10.84
Dipole, Da:	5.8
IP(EA), eV:	-9.64(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC(=O)C1=CN(N=C1C(=O)C)C2=CC=CC=C2

DOS

IR

Vibrations