Geometry & MOs

Info

ID:	151032
PubChem CID:	53790729
Reduced:	SN3O3C24H31 (1)
Stoich.:	AB3C3D24E31 (1)
Weight, g/mol:	200.17763
ΔH_f, kcal/mol:	-34.15
Dipole, Da:	8.78
IP(EA), eV:	-8.9(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-butoxyoct-5-en-1-ol

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1CSC(=NC2=CC=C(C3=CC=CC=C32)[N+](=O)[O-])N1C4CCCC4)OC(C)(C)C

DOS

IR

Vibrations