Geometry & MOs

Info

ID:	311769
PubChem CID:	126597659
Reduced:	O5N7C25H29 (1)
Stoich.:	A5B7C25D29 (1)
Weight, g/mol:	451.213201
ΔH_f, kcal/mol:	-103.38
Dipole, Da:	2.06
IP(EA), eV:	-8.51(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=NN2CC(=O)N3CCOCC3)C4=CN=C5C(=N4)C(=CN5)OC(=O)NC(C)(C)CO

DOS

IR

Vibrations