Geometry & MOs

Info

ID:	311737
PubChem CID:	126597599
Reduced:	ClFO3N7H21C22 (1)
Stoich.:	ABC3D7E21F22 (1)
Weight, g/mol:	431.150601
ΔH_f, kcal/mol:	-46.44
Dipole, Da:	5.25
IP(EA), eV:	-8.7(-1.03)
Spin(S_z, 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)-1-pyridin-2-ylethyl]carbamate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)Cl)C(=N1)C3=CN=C4C(=N3)C(=CN4)OC(=O)NCC(=O)CN5CC[C@H](C5)F

DOS

IR

Vibrations