Geometry & MOs

Info

ID:

57312

PubChem CID:

22395643

Reduced:

SN2C5H11 (1)

Stoich.:

AB2C5D11 (1)

Weight, g/mol:

109.027612

ΔHf, kcal/mol:

33.19

Dipole, Da:

9.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765006

Charge, e:

 0

Chem-info

IUPAC name:

1H-pyrazolo[3,4-d][1,3]oxazole

Drug info:

PubChemData

Smile

C[N+]1(CCNC1=S)C

DOS

IR

Vibrations