Geometry & MOs

Info

ID:	262612
PubChem CID:	103303771
Reduced:	SN3O3C11H17 (1)
Stoich.:	AB3C3D11E17 (1)
Weight, g/mol:	278.104913
ΔH_f, kcal/mol:	-96.54
Dipole, Da:	6.89
IP(EA), eV:	-8.86(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-chloro-2-propylpentyl)-2,4,5-trifluorobenzene

Drug info:

PubChemData

Smile

CC1CN(CCO1)S(=O)(=O)C2=C(C=CC=N2)NC

DOS

IR

Vibrations