Geometry & MOs

Info

ID:

146051

PubChem CID:

53628195

Reduced:

NOC5H6 (1)

Stoich.:

ABC5D6 (1)

Weight, g/mol:

110.060589

ΔHf, kcal/mol:

41.4

Dipole, Da:

3.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765077

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C=NC(=C1CC1)[O]

DOS

IR

Vibrations