Geometry & MOs

Info

ID:

48491

PubChem CID:

10587863

Reduced:

OSN2H11C12 (1)

Stoich.:

ABC2D11E12 (1)

Weight, g/mol:

266.143743

ΔHf, kcal/mol:

46.34

Dipole, Da:

0.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.909122

Charge, e:

 0

Chem-info

IUPAC name:

1-(5-chloropentyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)[N+](=CN2)C3=CSC=C3

DOS

IR

Vibrations