Geometry & MOs

Info

ID:

397626

PubChem CID:

135030487

Reduced:

C12H13 (1)

Stoich.:

A12B13 (1)

Weight, g/mol:

339.162314

ΔHf, kcal/mol:

42.24

Dipole, Da:

0.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.971835

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-(3-methylanilino)-5,5-diphenylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CCC[C-]1C=CC2=CC=CC=C12

DOS

IR

Vibrations