Geometry & MOs

Info

ID:

411233

PubChem CID:

135084046

Reduced:

SiC13H21 (1)

Stoich.:

AB13C21 (1)

Weight, g/mol:

289.978046

ΔHf, kcal/mol:

3.0

Dipole, Da:

0.87

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.754754

Charge, e:

0

Chem-info

IUPAC name:

2,2,2-trichloro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

Drug info:

PubChemData

Smile

CCCCC1=C(C=C(C=C1)C)[Si](C)C

DOS

IR

Vibrations