Geometry & MOs

Info

ID:

163710

PubChem CID:

58106754

Reduced:

NOC14H15 (1)

Stoich.:

ABC14D15 (1)

Weight, g/mol:

236.01626

ΔHf, kcal/mol:

6.87

Dipole, Da:

0.76

IP(EA), eV:

-9.32(0.05)

Spin(Sz, S2):

None, None

Charge, e:

-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COCC1=CC=CC(=N1)CC2=CC=CC=C2

DOS

IR

Vibrations