Geometry & MOs

Info

ID:

637

PubChem CID:

3119

Reduced:

ON3C23H25 (2)

Stoich.:

AB3C23D25 (2)

Weight, g/mol:

718.399525

ΔHf, kcal/mol:

120.93

Dipole, Da:

0.74

IP(EA), eV:

 -3.99(-3.14)

Spin(Sz, S2):

 None, None

Charge, e:

 2

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

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

DOS

IR

Vibrations