Geometry & MOs

Info

ID:	57117
PubChem CID:	22395359
Reduced:	F2O2N3H17C19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	229.95786
ΔH_f, kcal/mol:	-97.89
Dipole, Da:	9.71
IP(EA), eV:	-8.6(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4H-1,3-benzodioxole-5-carbaldehyde

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=CC=C3)OC(F)F

DOS

IR

Vibrations