Geometry & MOs

Info

ID:	85089
PubChem CID:	49871690
Reduced:	Br3O4H21C28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	272.104859
ΔH_f, kcal/mol:	-59.02
Dipole, Da:	1.88
IP(EA), eV:	-9.42(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[(2Z)-2-benzylidenecyclopropyl]methylidene]propanedioate

Drug info:

PubChemData

Smile

C1/C(=C\C2=CC=C(C=C2)Br)/C=CC1(C(=O)OCC3=CC=C(C=C3)Br)C(=O)OCC4=CC=C(C=C4)Br

DOS

IR

Vibrations