Geometry & MOs

Info

ID:	294794
PubChem CID:	117495855
Reduced:	BrN2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	309.9953
ΔH_f, kcal/mol:	-69.27
Dipole, Da:	10.09
IP(EA), eV:	-9.54(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C2=CC(=NN2C)C(=O)O)Br)O

DOS

IR

Vibrations