Geometry & MOs

Info

ID:

436344

PubChem CID:

135199185

Reduced:

N3H45C53 (1)

Stoich.:

A3B45C53 (1)

Weight, g/mol:

404.174945

ΔHf, kcal/mol:

237.8

Dipole, Da:

5.47

IP(EA), eV:

 -8.46(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[(E)-1-amino-3-imino-1-(8-methylquinolin-7-yl)prop-1-en-2-yl]-1,10-phenanthrolin-5-amine

Drug info:

PubChemData

Smile

C/C(=C(\C=C/C=C)/C1=C(C2=CC=CC=C2C3=CC=CC=C31)NC)/CCC/C=C\C(=C/C=C)\C4=CC=C(C5=CC=CC=C54)C6=C7C=CC8=C(C7=NC=C6)N=CC=C8

DOS

IR

Vibrations