Geometry & MOs

Info

ID:	311806
PubChem CID:	126597727
Reduced:	FO2N7H20C22 (1)
Stoich.:	AB2C7D20E22 (1)
Weight, g/mol:	488.133234
ΔH_f, kcal/mol:	23.94
Dipole, Da:	2.82
IP(EA), eV:	-8.65(-0.98)
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-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C1CC(C1)C#N)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)F)C

DOS

IR

Vibrations