Geometry & MOs

Info

ID:	280140
PubChem CID:	103847167
Reduced:	O2C9H10 (1)
Stoich.:	A2B9C10 (1)
Weight, g/mol:	166.045236
ΔH_f, kcal/mol:	-40.44
Dipole, Da:	2.46
IP(EA), eV:	-9.36(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-thiophen-2-ylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC(=C)C(=O)CC1=CC=CO1

DOS

IR

Vibrations