Geometry & MOs

Info

ID:

7210

PubChem CID:

71541

Reduced:

ClON3C23H25 (2)

Stoich.:

ABC3D23E25 (2)

Weight, g/mol:

788.33723

ΔHf, kcal/mol:

32.6

Dipole, Da:

31.52

IP(EA), eV:

 -7.53(-2.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-methoxy-2-[2-[4-[1-[2-(10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazol-2-ium;dichloride

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2C4=C(C=C3)C=C[N+](=C4)CCN5CCC(CC5)C6CCN(CC6)CC[N+]7=CC8=C(C=CC9=C8C1=C(N9)C=CC(=C1)OC)C=C7.[Cl-].[Cl-]

DOS

IR

Vibrations