Geometry & MOs

Info

ID:	264194
PubChem CID:	103440036
Reduced:	ClO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	232.032478
ΔH_f, kcal/mol:	-147.31
Dipole, Da:	1.54
IP(EA), eV:	-10.57(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-chloro-4-thiophen-3-ylbutanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C1CCCCC1)Cl

DOS

IR

Vibrations