Geometry & MOs

Info

ID:

45257

PubChem CID:

10510212

Reduced:

N8O14C49H80 (1)

Stoich.:

A8B14C49D80 (1)

Weight, g/mol:

756.461456

ΔHf, kcal/mol:

-551.07

Dipole, Da:

3.35

IP(EA), eV:

 -8.74(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

N,N'-bis[1-[(3,5-dimethoxyphenyl)methyl]-2-methylquinolin-1-ium-4-yl]decane-1,10-diamine

Drug info:

PubChemData

Smile

C/C=C(\C)/C(=O)[C@@H](C)/C=C(\C)/[C@@H]1[C@H](CC[C@@](O1)([C@@](C)(C(=O)N[C@H]2[C@@H](OC(=O)[C@H](NC(=O)[C@H]3CCCNN3C(=O)[C@H](N(C(=O)[C@@H](N(C(=O)[C@H]4CCCNN4C2=O)O)C)C)CC(C)C)[C@H](C)O)C(C)C)O)O)C

DOS

IR

Vibrations