Geometry & MOs

Info

ID:	177324
PubChem CID:	76167304
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	2.4
Dipole, Da:	3.44
IP(EA), eV:	-9.3(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-(2-hydroxy-2,4-dimethylpentan-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C(C)(C)C)NC(=O)C1=CNC2=NC=C(N=C12)C3CC3

DOS

IR

Vibrations