Geometry & MOs

Info

ID:	294946
PubChem CID:	117507425
Reduced:	BrN2O4H9C12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	324.01095
ΔH_f, kcal/mol:	-81.04
Dipole, Da:	8.68
IP(EA), eV:	-9.35(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(8-bromo-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-3-amine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=CC3=C(C=C2Br)OCO3

DOS

IR

Vibrations