Geometry & MOs

Info

ID:	311802
PubChem CID:	126597722
Reduced:	FO2N7C22H26 (1)
Stoich.:	AB2C7D22E26 (1)
Weight, g/mol:	514.137651
ΔH_f, kcal/mol:	-25.78
Dipole, Da:	2.1
IP(EA), eV:	-8.5(-0.83)
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-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations