Geometry & MOs

Info

ID:	249625
PubChem CID:	103090959
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	227.094629
ΔH_f, kcal/mol:	-143.07
Dipole, Da:	3.59
IP(EA), eV:	-9.17(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-(5-pyridin-3-ylfuran-2-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)/C=C(/C)\C(=O)C)C(=O)OC

DOS

IR

Vibrations