Geometry & MOs

Info

ID:	338542
PubChem CID:	127259257
Reduced:	SCl2O5H8C13 (1)
Stoich.:	AB2C5D8E13 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-149.68
Dipole, Da:	2.53
IP(EA), eV:	-8.85(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2Z)-2-(2-piperidin-1-yl-1-benzofuran-3-ylidene)ethyl] acetate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1/C(=C\2/C(=O)C=CS2)/O)Cl)Cl)OCC(=O)O

DOS

IR

Vibrations