Geometry & MOs

Info

ID:	311810
PubChem CID:	126597742
Reduced:	ClO3N9H22C27 (1)
Stoich.:	AB3C9D22E27 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	74.62
Dipole, Da:	5.7
IP(EA), eV:	-8.91(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CC(C1)C#N)NC(=O)OC2=CNC3=NC=C(N=C23)C4=NN(C5=C4C=CC(=C5)Cl)CC6=CC=CC=N6

DOS

IR

Vibrations