Geometry & MOs

Info

ID:	51992
PubChem CID:	12014763
Reduced:	Cl2O6H16C17 (1)
Stoich.:	A2B6C16D17 (1)
Weight, g/mol:	386.032394
ΔH_f, kcal/mol:	-159.67
Dipole, Da:	5.83
IP(EA), eV:	-9.13(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-3-(furan-3-ylmethoxy)-4,4-dimethoxy-5-(2-methylfuran-3-yl)cyclopent-2-en-1-one

Drug info:

PubChemData

Smile

COC1(C(=C(C(=O)C1(C2C=COC2=C)Cl)Cl)OCC3=COC=C3)OC

DOS

IR

Vibrations