Geometry & MOs

Info

ID:

246588

PubChem CID:

103061394

Reduced:

OSN5C9H11 (1)

Stoich.:

ABC5D9E11 (1)

Weight, g/mol:

251.152144

ΔHf, kcal/mol:

28.0

Dipole, Da:

3.94

IP(EA), eV:

-8.92(-0.88)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[(2-methoxy-N-methylanilino)methyl]oxan-4-ol

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CC2=CN=C(C=N2)NN

DOS

IR

Vibrations