Geometry & MOs

Info

ID:	220887
PubChem CID:	85240264
Reduced:	BrNOCl2H6C8 (1)
Stoich.:	ABCD2E6F8 (1)
Weight, g/mol:	283.084458
ΔH_f, kcal/mol:	12.88
Dipole, Da:	1.18
IP(EA), eV:	-9.82(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1,3-benzodioxol-5-yl)-3-pyridin-3-ylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=NO)C(Cl)Cl)Br

DOS

IR

Vibrations