Geometry & MOs

Info

ID:

312717

PubChem CID:

126607573

Reduced:

FO2N7H26C27 (1)

Stoich.:

AB2C7D26E27 (1)

Weight, g/mol:

510.290923

ΔHf, kcal/mol:

34.19

Dipole, Da:

3.25

IP(EA), eV:

 -8.51(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

11-[4-[(1E,3E)-4-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)buta-1,3-dienyl]pyridin-2-yl]-10-ethyl-6,7-dihydrobenzo[a]quinolizin-5-ium

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C2=CC=C(C=C2)F)C3C=CC4=NC(=CN4N3)NC(=O)C5=CC=NC=C5)C6CCOCC6

DOS

IR

Vibrations