Geometry & MOs

Info

ID:

179833

PubChem CID:

76539364

Reduced:

NC5H6 (1)

Stoich.:

AB5C6 (1)

Weight, g/mol:

210.060469

ΔHf, kcal/mol:

54.53

Dipole, Da:

3.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.899176

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(difluoromethoxy)phenyl]imidazole

Drug info:

PubChemData

Smile

[CH2]C=CCC#N

DOS

IR

Vibrations