Geometry & MOs

Info

ID:

135555

PubChem CID:

51892315

Reduced:

NOC10H14 (1)

Stoich.:

ABC10D14 (1)

Weight, g/mol:

163.099714

ΔHf, kcal/mol:

-10.25

Dipole, Da:

2.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.032325

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-1-amino-2,3-dihydroinden-1-yl]methanol

Drug info:

PubChemData

Smile

C1C[C@@](C2=CC=CC=C21)(CO)[NH3+]

DOS

IR

Vibrations