Geometry & MOs

Info

ID:	311773
PubChem CID:	126597668
Reduced:	ClO2N6H19C23 (1)
Stoich.:	AB2C6D19E23 (1)
Weight, g/mol:	497.23508
ΔH_f, kcal/mol:	57.52
Dipole, Da:	1.6
IP(EA), eV:	-8.55(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[4-(difluoromethoxy)-1-(1-methylpiperidin-4-yl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)Cl)C

DOS

IR

Vibrations