Geometry & MOs

Info

ID:	53382
PubChem CID:	14710861
Reduced:	C2H3 (6)
Stoich.:	A2B3 (6)
Weight, g/mol:	767.66316
ΔH_f, kcal/mol:	12.54
Dipole, Da:	1.24
IP(EA), eV:	-9.05(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile;13,14,19,20-tetraselenahexacyclo[10.8.2.02,11.04,9.015,22.018,21]docosa-1(21),2,4,6,8,10,12(22),15,17-nonaene

Drug info:

PubChemData

Smile

C[C@@H]1CC(CC=C1C=C)C(=C)C

DOS

IR

Vibrations