Geometry & MOs

Info

ID:	254997
PubChem CID:	103129214
Reduced:	BrON4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	335.03817
ΔH_f, kcal/mol:	53.73
Dipole, Da:	3.04
IP(EA), eV:	-8.98(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-propylpyrazol-3-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)Br)C(C2=C3C=CC=CN3N=C2)O

DOS

IR

Vibrations