Geometry & MOs

Info

ID:	325722
PubChem CID:	126684635
Reduced:	NO6C29H41 (1)
Stoich.:	AB6C29D41 (1)
Weight, g/mol:	236.084656
ΔH_f, kcal/mol:	-243.9
Dipole, Da:	3.09
IP(EA), eV:	-8.8(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(6,6,6-trifluorohexyl)thiophene

Drug info:

PubChemData

Smile

CCCCCC/C(=C/C=C(\C)/C=C(\C)/C(=C\1/C(=O)C=C(OC1=O)C(C)CC/C=C/NC(=O)OC)/O)/C

DOS

IR

Vibrations