Geometry & MOs

Info

ID:

377533

PubChem CID:

134223590

Reduced:

N5O6C32H39 (1)

Stoich.:

A5B6C32D39 (1)

Weight, g/mol:

584.383875

ΔHf, kcal/mol:

-147.48

Dipole, Da:

3.8

IP(EA), eV:

 -8.79(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,3Z)-3-[3-[2-[1-[4-[1-(2-aminoethyl)piperidin-4-yl]phenyl]ethenylamino]pyridin-4-yl]propylidene]-2-(5-methoxypentylidene)-N-methylpyrrole-1-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)N1C=CC2=CC(=C(C=C21)OCCOC)OC3=CC(=NC=C3)NC(=O)C4=CCC(C=C4)C5CCN(CC5)CCO

DOS

IR

Vibrations