Geometry & MOs

Info

ID:

397104

PubChem CID:

135029738

Reduced:

C20H21 (1)

Stoich.:

A20B21 (1)

Weight, g/mol:

235.087625

ΔHf, kcal/mol:

68.38

Dipole, Da:

1.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.617812

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S)-2-azido-1-chlorocyclohexyl]benzene

Drug info:

PubChemData

Smile

CCCC1=C(C2=C(C=C[C+]=C2)C3=CC=CC=C31)CCC

DOS

IR

Vibrations