Geometry & MOs

Info

ID:

311727

PubChem CID:

126597552

Reduced:

O2N10C39H40 (1)

Stoich.:

A2B10C39D40 (1)

Weight, g/mol:

433.166251

ΔHf, kcal/mol:

67.98

Dipole, Da:

10.1

IP(EA), eV:

 -8.19(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(1R,3S)-3-(cyanomethyl)cyclopentyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C(=CC=C2)C3=CN=C4C(=N3)C(=CN4)C(=O)NC(C)(C)C.CC(C)(C)NC(=O)C1=CNC2=NC=C(N=C12)C3=CC=CC4=C3NC=C4

DOS

IR

Vibrations