Geometry & MOs

Info

ID:	299039
PubChem CID:	117669542
Reduced:	ClO2F4H11C15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	219.083019
ΔH_f, kcal/mol:	-254.43
Dipole, Da:	3.09
IP(EA), eV:	-9.47(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethyl)-2-thiophen-3-ylpentanedinitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OC2=CC(=C(C=C2)Cl)C(F)(F)F)CF)CO

DOS

IR

Vibrations