Geometry & MOs

Info

ID:	229544
PubChem CID:	87567983
Reduced:	ZrCl2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	231.053158
ΔH_f, kcal/mol:	-8.51
Dipole, Da:	1.81
IP(EA), eV:	-7.82(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxy-3,4-dioxocyclobuten-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1C=C(C(=[C-]1)C)C.CC1[C-]=C(C=C1C)C.C=[Zr+2].Cl.Cl

DOS

IR

Vibrations