Geometry & MOs

Info

ID:	311747
PubChem CID:	126597623
Reduced:	FO2N6C22H23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	481.162915
ΔH_f, kcal/mol:	-29.22
Dipole, Da:	1.93
IP(EA), eV:	-8.53(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2R)-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(CCCCC1)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)F)C

DOS

IR

Vibrations