Geometry & MOs

Info

ID:	79693
PubChem CID:	49830008
Reduced:	N7C23H27 (1)
Stoich.:	A7B23C27 (1)
Weight, g/mol:	400.224969
ΔH_f, kcal/mol:	164.51
Dipole, Da:	9.59
IP(EA), eV:	-6.33(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

9-cyclohex-3-en-1-yl-4-(pyridin-2-ylmethyl)-2,4,6,8,17-pentaza-10-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),6,11,13,15-pentaene

Drug info:

PubChemData

Smile

C1CC(CC=C1)C2NC3=NC[NH+](CN3C4=[N+]2C5=CC=CC=C5N4)CC6=CC=CC=N6

DOS

IR

Vibrations