Geometry & MOs

Info

ID:	294497
PubChem CID:	117464484
Reduced:	ClNF2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	286.97932
ΔH_f, kcal/mol:	-105.91
Dipole, Da:	4.98
IP(EA), eV:	-9.4(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminooxymethyl)-6-bromo-2,3-dihydro-1,4-benzodioxine-8-carbaldehyde

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1Cl)C2(CCCCC2)CN)(F)F

DOS

IR

Vibrations