Geometry & MOs

Info

ID:	46086
PubChem CID:	10521398
Reduced:	O3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	344.181001
ΔH_f, kcal/mol:	-96.42
Dipole, Da:	4.2
IP(EA), eV:	-8.73(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-5-[5-(4-phenylbutyl)thiophen-2-yl]pentanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@](C1)(C#CCCOCC2=CC=C(C=C2)OC)O)C(C)C

DOS

IR

Vibrations