Geometry & MOs

Info

ID:	311790
PubChem CID:	126597706
Reduced:	FO2N6C21H21 (1)
Stoich.:	AB2C6D21E21 (1)
Weight, g/mol:	380.159689
ΔH_f, kcal/mol:	0.76
Dipole, Da:	1.65
IP(EA), eV:	-8.55(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

Drug info:

PubChemData

Smile

CC(CC1CC1)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)F)C

DOS

IR

Vibrations