Geometry & MOs

Info

ID:

328578

PubChem CID:

126725641

Reduced:

ON2C18H20 (1)

Stoich.:

AB2C18D20 (1)

Weight, g/mol:

589.261294

ΔHf, kcal/mol:

26.05

Dipole, Da:

3.3

IP(EA), eV:

 -7.94(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(E)-1-amino-3-[(3,4-difluorophenyl)methylimino]prop-1-en-2-yl]-5-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)N1C2=CC=C3C4=C(C=CC(=C24)C1=N)C(O3)(C)C

DOS

IR

Vibrations