Geometry & MOs

Info

ID:

317585

PubChem CID:

126644084

Reduced:

O3N7C37H47 (1)

Stoich.:

A3B7C37D47 (1)

Weight, g/mol:

593.347824

ΔHf, kcal/mol:

-32.87

Dipole, Da:

5.0

IP(EA), eV:

 -8.41(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[(1S,2S)-2-[[4-[4-[1-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)C2=CC=C(C=C2)CO[C@H]3CCC[C@@H]3NC(=O)C4=C(N=CC(=C4)C5=CN(N=C5)C)N)N6CCN(CC6)CCO

DOS

IR

Vibrations