Geometry & MOs

Info

ID:	254297
PubChem CID:	103124060
Reduced:	BrON2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	241.09636
ΔH_f, kcal/mol:	-3.61
Dipole, Da:	3.37
IP(EA), eV:	-8.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylpyrazol-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=CNC2=O)Br

DOS

IR

Vibrations