Geometry & MOs

Info

ID:	311774
PubChem CID:	126597669
Reduced:	F2O2N7C25H29 (1)
Stoich.:	A2B2C7D25E29 (1)
Weight, g/mol:	530.219015
ΔH_f, kcal/mol:	-94.2
Dipole, Da:	7.73
IP(EA), eV:	-8.86(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-pyridin-4-ylethyl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CNC2=NC=C(N=C12)C3=NN(C4=C3C(=CC=C4)OC(F)F)C5CCN(CC5)C

DOS

IR

Vibrations