Geometry & MOs

Info

ID:

389960

PubChem CID:

134996257

Reduced:

ON2C10H13 (1)

Stoich.:

AB2C10D13 (1)

Weight, g/mol:

216.04563

ΔHf, kcal/mol:

80.49

Dipole, Da:

1.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.071158

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxypropyl benzenesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)N(C1=CC=CC(=C1)[N])[O]

DOS

IR

Vibrations