Geometry & MOs

Info

ID:

790

PubChem CID:

3358

Reduced:

ON3C21H24 (2)

Stoich.:

AB3C21D24 (2)

Weight, g/mol:

668.383875

ΔHf, kcal/mol:

41.39

Dipole, Da:

4.53

IP(EA), eV:

 -7.61(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 4

Chem-info

IUPAC name:

2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl-[6-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethylazaniumyl]hexyl]azanium

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2C4=C(C=C3)C=C[N+](=C4)CC[NH2+]CCCCCC[NH2+]CC[N+]5=CC6=C(C=CC7=C6C8=C(N7)C=CC(=C8)OC)C=C5

DOS

IR

Vibrations