Geometry & MOs

Info

ID:

395440

PubChem CID:

135025469

Reduced:

N5O5C43H50 (1)

Stoich.:

A5B5C43D50 (1)

Weight, g/mol:

276.095043

ΔHf, kcal/mol:

-112.57

Dipole, Da:

2.31

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.245812

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-2-fluoro-3-naphthalen-2-yl-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)N5CCN(CC5)CCCN6C(=O)C7C8C=CC(C7C6=O)O8

DOS

IR

Vibrations