Geometry & MOs

Info

ID:	67846
PubChem CID:	46507289
Reduced:	NO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	479.0757
ΔH_f, kcal/mol:	-22.88
Dipole, Da:	8.1
IP(EA), eV:	-9.03(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=NC2=C1C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

DOS

IR

Vibrations