Geometry & MOs

Info

ID:

146052

PubChem CID:

53628196

Reduced:

NOC6H8 (1)

Stoich.:

ABC6D8 (1)

Weight, g/mol:

174.912037

ΔHf, kcal/mol:

15.92

Dipole, Da:

3.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.906714

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C=C([CH2])CC(=O)N=C

DOS

IR

Vibrations