Geometry & MOs

Info

ID:

323480

PubChem CID:

126674945

Reduced:

NOC30H45 (1)

Stoich.:

ABC30D45 (1)

Weight, g/mol:

570.368225

ΔHf, kcal/mol:

-53.82

Dipole, Da:

2.27

IP(EA), eV:

 -8.33(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-[(2Z,4E)-1-iminohepta-2,4-dien-2-yl]-N-[[2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methoxy]cyclopentyl]methylidene]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC(C)CC)C(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)COC3CCCC3

DOS

IR

Vibrations