Geometry & MOs

Info

ID:

413140

PubChem CID:

135086084

Reduced:

NOH14C16 (1)

Stoich.:

ABC14D16 (1)

Weight, g/mol:

230.167065

ΔHf, kcal/mol:

26.8

Dipole, Da:

3.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.117424

Charge, e:

 0

Chem-info

IUPAC name:

(E)-2-phenyldec-2-en-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C=[NH+]2

DOS

IR

Vibrations