Geometry & MOs

Info

ID:

436338

PubChem CID:

135199112

Reduced:

FN2O6C26H31 (1)

Stoich.:

AB2C6D26E31 (1)

Weight, g/mol:

863.423949

ΔHf, kcal/mol:

-256.89

Dipole, Da:

5.38

IP(EA), eV:

 -9.31(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3Z)-5-[3-[9-(1,1-diphenylethyl)-8-[(3Z)-hexa-3,5-dienyl]phenanthridin-6-yl]phenyl]hepta-1,3-dien-2-yl]-9-phenyl-1,10-phenanthroline

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)[C@H](C2CCC2)[C@H](C)OC(=O)[C@H](C)NC(=O)C3=NC=CC(=C3OC(=O)C)OC

DOS

IR

Vibrations