Geometry & MOs

Info

ID:	53080
PubChem CID:	14709530
Reduced:	OH9C10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	182.076536
ΔH_f, kcal/mol:	-3.22
Dipole, Da:	2.7
IP(EA), eV:	-9.36(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-thiophen-2-ylbutan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)C3=CC=CO3

DOS

IR

Vibrations