Geometry & MOs

Info

ID:	413525
PubChem CID:	135086474
Reduced:	O3C8H10 (2)
Stoich.:	A3B8C10 (2)
Weight, g/mol:	236.123486
ΔH_f, kcal/mol:	-232.69
Dipole, Da:	2.29
IP(EA), eV:	-9.48(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-thiophen-2-yldec-2-en-4-one

Drug info:

PubChemData

Smile

COC(=O)CC(=O)CC1(OCCO1)COCC2=CC=CC=C2

DOS

IR

Vibrations