Geometry & MOs

Info

ID:	311784
PubChem CID:	126597693
Reduced:	O2N6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	391.119301
ΔH_f, kcal/mol:	24.1
Dipole, Da:	4.57
IP(EA), eV:	-8.51(-0.92)
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-cyanocyclopropyl)carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=NN2C3=CN=C4C(=N3)C(=CN4)OC(=O)NC(C)(C)C

DOS

IR

Vibrations