Geometry & MOs

Info

ID:	311797
PubChem CID:	126597717
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	350.149124
ΔH_f, kcal/mol:	-15.3
Dipole, Da:	5.1
IP(EA), eV:	-8.42(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3CC(CC4)(C)C)C

DOS

IR

Vibrations