Geometry & MOs

Info

ID:	283856
PubChem CID:	104012948
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	338.0266
ΔH_f, kcal/mol:	48.05
Dipole, Da:	8.44
IP(EA), eV:	-8.95(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)/C(=C(/C#N)\C2=CC=NC=C2)/N

DOS

IR

Vibrations