Geometry & MOs

Info

ID:	337920
PubChem CID:	127258543
Reduced:	O2C15H26 (1)
Stoich.:	A2B15C26 (1)
Weight, g/mol:	318.128966
ΔH_f, kcal/mol:	-114.37
Dipole, Da:	1.26
IP(EA), eV:	-9.17(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(thiophen-2-ylmethyl)phenoxy]propyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C)(CC=C(C)C)C(=C)C

DOS

IR

Vibrations