Geometry & MOs

Info

ID:

323487

PubChem CID:

126674989

Reduced:

F2N3O5H27C29 (1)

Stoich.:

A2B3C5D27E29 (1)

Weight, g/mol:

624.353637

ΔHf, kcal/mol:

-180.17

Dipole, Da:

7.41

IP(EA), eV:

 -9.24(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1(C#N)NC(=O)C2(CCC(CC2)(F)F)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CC=C(C=C5)OC6COC6

DOS

IR

Vibrations