Geometry & MOs

Info

ID:	67847
PubChem CID:	46507290
Reduced:	BrFON5H19C23 (1)
Stoich.:	ABCD5E19F23 (1)
Weight, g/mol:	489.11642
ΔH_f, kcal/mol:	64.0
Dipole, Da:	4.68
IP(EA), eV:	-9.04(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine-3-carbaldehyde

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC=CN4C3=C(C(=N4)C5=CC=C(C=C5)Br)C=O

DOS

IR

Vibrations