Geometry & MOs

Info

ID:

412509

PubChem CID:

135085404

Reduced:

FN2H12C13 (1)

Stoich.:

AB2C12D13 (1)

Weight, g/mol:

224.120115

ΔHf, kcal/mol:

8.4

Dipole, Da:

2.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.208353

Charge, e:

 0

Chem-info

IUPAC name:

1-phenyldeca-3,5-diyn-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1F)NC3=C2C=CC=[N+]3C

DOS

IR

Vibrations