Geometry & MOs

Info

ID:	311746
PubChem CID:	126597622
Reduced:	FO2N6C19H19 (1)
Stoich.:	AB2C6D19E19 (1)
Weight, g/mol:	422.186652
ΔH_f, kcal/mol:	-19.89
Dipole, Da:	1.6
IP(EA), eV:	-8.56(-0.88)
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-(1-methylcyclohexyl)carbamate

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=CC(=C4)F)C

DOS

IR

Vibrations