Geometry & MOs

Info

ID:	295134
PubChem CID:	117518284
Reduced:	BrN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	352.04226
ΔH_f, kcal/mol:	-42.11
Dipole, Da:	5.05
IP(EA), eV:	-9.02(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-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=C2C(=C(C=C1C3=NOC(=C3)N)Br)OCCCO2

DOS

IR

Vibrations