Geometry & MOs

Info

ID:

384551

PubChem CID:

134977208

Reduced:

OPSiC14H26 (8)

Stoich.:

ABCD14E26 (8)

Weight, g/mol:

128.978155

ΔHf, kcal/mol:

-1451.58

Dipole, Da:

14.29

IP(EA), eV:

 -4.72(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-6-fluoro-4,5-didehydropyridine

Drug info:

PubChemData

Smile

C1CCC(CC1)P(CC[Si]23O[Si]4(O[Si]5(O[Si](O2)([Si]6(O[Si]3(O[Si]4(O[Si]5(O6)CCP(C7CCCCC7)C8CCCCC8)CCP(C9CCCCC9)C1CCCCC1)CCP(C1CCCCC1)C1CCCCC1)CCP(C1CCCCC1)C1CCCCC1)CCP(C1CCCCC1)C1CCCCC1)CCP(C1CCCCC1)C1CCCCC1)CCP(C1CCCCC1)C1CCCCC1)C1CCCCC1

DOS

IR

Vibrations