Geometry & MOs

Info

ID:

384240

PubChem CID:

134976605

Reduced:

H11C14 (1)

Stoich.:

A11B14 (1)

Weight, g/mol:

323.1674

ΔHf, kcal/mol:

116.95

Dipole, Da:

1.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.143963

Charge, e:

 0

Chem-info

IUPAC name:

4-[(E)-4-methyl-3,5-diphenylpent-3-en-1-ynyl]aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C#C[C]2[CH][CH][CH][CH]2

DOS

IR

Vibrations