Geometry & MOs

Info

ID:

441186

PubChem CID:

135233502

Reduced:

N5H35C49 (1)

Stoich.:

A5B35C49 (1)

Weight, g/mol:

318.209599

ΔHf, kcal/mol:

359.43

Dipole, Da:

4.1

IP(EA), eV:

 -8.02(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-cyclohexa-1,5-dien-1-yl-1-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-imino-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(N=C(N2)N3C4=CC=CC=C4C(=C3C5=CC=CC=C5)C6=C(N(C7=CC=CC=C76)C8=CC=CC=C8)C9=CC=CC#C9)C1=CC=CC=C1

DOS

IR

Vibrations