Geometry & MOs

Info

ID:

317613

PubChem CID:

126644335

Reduced:

O3N6C32H38 (1)

Stoich.:

A3B6C32D38 (1)

Weight, g/mol:

517.280138

ΔHf, kcal/mol:

-21.11

Dipole, Da:

1.86

IP(EA), eV:

 -8.51(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)N[C@H]3CCC[C@@H]3OCC4=CC=C(C=C4)C5=CC=C(C=C5)OCCN(C)C

DOS

IR

Vibrations