Geometry & MOs

Info

ID:	182785
PubChem CID:	76938201
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	224.087101
ΔH_f, kcal/mol:	-92.89
Dipole, Da:	1.72
IP(EA), eV:	-9.57(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-but-2-enoxy-1-thiophen-2-ylbutan-1-one

Drug info:

PubChemData

Smile

CC=CCOCCCC(=O)C

DOS

IR

Vibrations