Geometry & MOs

Info

ID:	386336
PubChem CID:	134981438
Reduced:	Cl2O2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	316.047307
ΔH_f, kcal/mol:	-103.56
Dipole, Da:	4.98
IP(EA), eV:	-10.4(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

carbanide;dioxorhenium;hex-3-yne

Drug info:

PubChemData

Smile

CC(C)[C@H]1[C@H](/C(=C/Cl)/C(=O)O1)CCl

DOS

IR

Vibrations