Geometry & MOs

Info

ID:

270844

PubChem CID:

103638408

Reduced:

ON6C8H14 (1)

Stoich.:

AB6C8D14 (1)

Weight, g/mol:

215.098

ΔHf, kcal/mol:

43.43

Dipole, Da:

2.12

IP(EA), eV:

-8.36(-0.07)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentan-1-ol

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=NN=C(N)N)OC)C

DOS

IR

Vibrations