Geometry & MOs

Info

ID:	311770
PubChem CID:	126597660
Reduced:	FO2N7C23H26 (1)
Stoich.:	AB2C7D23E26 (1)
Weight, g/mol:	396.134617
ΔH_f, kcal/mol:	-28.19
Dipole, Da:	2.61
IP(EA), eV:	-8.54(-0.86)
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-(3-methyloxetan-3-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=CC(=C4)F)C5CCNCC5

DOS

IR

Vibrations