Geometry & MOs

Info

ID:

312356

PubChem CID:

126604403

Reduced:

NH23C29 (2)

Stoich.:

AB23C29 (2)

Weight, g/mol:

379.204848

ΔHf, kcal/mol:

239.01

Dipole, Da:

0.46

IP(EA), eV:

 -7.66(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2E)-5-methylhepta-2,6-dien-2-yl]-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C(=CC5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations