Geometry & MOs

Info

ID:	295133
PubChem CID:	117518274
Reduced:	BrN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	352.04226
ΔH_f, kcal/mol:	-71.0
Dipole, Da:	7.84
IP(EA), eV:	-9.64(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9-bromo-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-amine

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC(=C1)C2=CC(=NN2C)C(=O)O)Br)OC

DOS

IR

Vibrations