Geometry & MOs

Info

ID:	311764
PubChem CID:	126597652
Reduced:	ClO3N8H25C26 (1)
Stoich.:	AB3C8D25E26 (1)
Weight, g/mol:	400.105066
ΔH_f, kcal/mol:	36.76
Dipole, Da:	3.38
IP(EA), eV:	-8.76(-1.1)
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)-1-hydroxypropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)Cl)C(=N1)C3=CN=C4C(=N3)C(=CN4)OC(=O)N[C@H](C5CC5)C(=O)N6CCC(CC6)C#N

DOS

IR

Vibrations