Geometry & MOs

Info

ID:	254452
PubChem CID:	103125365
Reduced:	BrON5H12C13 (1)
Stoich.:	ABC5D12E13 (1)
Weight, g/mol:	349.01744
ΔH_f, kcal/mol:	82.25
Dipole, Da:	2.36
IP(EA), eV:	-9.66(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-(2-methoxyethyl)pyrazol-3-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone

Drug info:

PubChemData

Smile

CCCN1C(=C(C=N1)Br)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations