Geometry & MOs

Info

ID:

323562

PubChem CID:

126675476

Reduced:

ON10C23H26 (1)

Stoich.:

AB10C23D26 (1)

Weight, g/mol:

581.311438

ΔHf, kcal/mol:

107.51

Dipole, Da:

6.9

IP(EA), eV:

 -8.38(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)CNC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC(=C4N)NN)N

DOS

IR

Vibrations