Geometry & MOs

Info

ID:	427185
PubChem CID:	135155970
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	307.02079
ΔH_f, kcal/mol:	-35.94
Dipole, Da:	3.59
IP(EA), eV:	-9.15(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(8-oxabicyclo[3.2.1]octan-3-yl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

C=C(C[C@@H]1CCCCNC1=O)N2CC3=CSC=C3C2=O

DOS

IR

Vibrations