Geometry & MOs

Info

ID:	311783
PubChem CID:	126597692
Reduced:	ON2C6H6 (3)
Stoich.:	AB2C6D6 (3)
Weight, g/mol:	364.164774
ΔH_f, kcal/mol:	-4.66
Dipole, Da:	3.02
IP(EA), eV:	-8.57(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CO)NC(=O)OC1=CNC2=NC=C(N=C12)N3C4=CC=CC=C4C=N3

DOS

IR

Vibrations