Geometry & MOs

Info

ID:	254100
PubChem CID:	103122692
Reduced:	BrON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	336.05857
ΔH_f, kcal/mol:	15.85
Dipole, Da:	7.91
IP(EA), eV:	-8.68(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromocyclohexyl)methyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=CC=C(C=C2)CCBr

DOS

IR

Vibrations