Geometry & MOs

Info

ID:

323041

PubChem CID:

126671886

Reduced:

ON2C26H36 (1)

Stoich.:

AB2C26D36 (1)

Weight, g/mol:

607.363474

ΔHf, kcal/mol:

-20.53

Dipole, Da:

1.68

IP(EA), eV:

 -8.45(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C)C)CC2=CC=C(C=C2)C3=CC=C(C=C3)COC4CCCC4

DOS

IR

Vibrations