Geometry & MOs

Info

ID:	311756
PubChem CID:	126597640
Reduced:	ClO2F3N6H14C18 (1)
Stoich.:	AB2C3D6E14F18 (1)
Weight, g/mol:	439.152351
ΔH_f, kcal/mol:	-126.4
Dipole, Da:	2.77
IP(EA), eV:	-8.67(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(4-aminocyclohexyl)carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations