Geometry & MOs

Info

ID:	294837
PubChem CID:	117499067
Reduced:	BrNO4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	312.99497
ΔH_f, kcal/mol:	-96.89
Dipole, Da:	5.36
IP(EA), eV:	-9.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-8-[2-(methylamino)acetyl]-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)O)C2(CC2)N=C=O)Br)OC

DOS

IR

Vibrations