Geometry & MOs

Info

ID:	249627
PubChem CID:	103090970
Reduced:	OC12H20 (1)
Stoich.:	AB12C20 (1)
Weight, g/mol:	222.107836
ΔH_f, kcal/mol:	-68.02
Dipole, Da:	3.27
IP(EA), eV:	-9.82(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5-tert-butylthiophen-2-yl)-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC1CCCC(C1)/C=C(/C)\C(=O)C

DOS

IR

Vibrations