Geometry & MOs

Info

ID:	338599
PubChem CID:	127259610
Reduced:	BrNO3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	341.09904
ΔH_f, kcal/mol:	-40.66
Dipole, Da:	5.4
IP(EA), eV:	-8.66(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-benzylideneamino]oxy-3-bromononan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N/C=C\2/C=C(C=C(C2=O)O)C=O)Br

DOS

IR

Vibrations