Geometry & MOs

Info

ID:

144173

PubChem CID:

53327303

Reduced:

N4O4C27H35 (1)

Stoich.:

A4B4C27D35 (1)

Weight, g/mol:

538.328097

ΔHf, kcal/mol:

-107.67

Dipole, Da:

4.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.807749

Charge, e:

 1

Chem-info

IUPAC name:

[2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-2-yl]methyl 3-[2-(2-ethoxyethoxy)ethoxy]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)OC[N+]1(CCC2=C(C1)C3=C(N2CCC4=CN=C(C=C4)C)C=CC(=C3)C)C

DOS

IR

Vibrations