Geometry & MOs

Info

ID:

413231

PubChem CID:

135086178

Reduced:

NC15H18 (1)

Stoich.:

AB15C18 (1)

Weight, g/mol:

292.182715

ΔHf, kcal/mol:

19.08

Dipole, Da:

3.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.029602

Charge, e:

 0

Chem-info

IUPAC name:

1,1-diphenylnon-1-en-3-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC3=CC=CC=C3C=[NH+]2

DOS

IR

Vibrations