Geometry & MOs

Info

ID:	324383
PubChem CID:	126677552
Reduced:	SF3O3N6C31H31 (1)
Stoich.:	AB3C3D6E31F31 (1)
Weight, g/mol:	240.245316
ΔH_f, kcal/mol:	-179.73
Dipole, Da:	3.74
IP(EA), eV:	-8.89(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hexylcyclopentyl)pentan-1-ol

Drug info:

PubChemData

Smile

CCCC1=C(C=C(C=C1)C)N\2C(=O)CS/C2=N\C(NC3=CC=C(C=C3)CCC4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F)O

DOS

IR

Vibrations