Geometry & MOs

Info

ID:	67850
PubChem CID:	46507295
Reduced:	FON5H24C25 (1)
Stoich.:	ABC5D24E25 (1)
Weight, g/mol:	441.216475
ΔH_f, kcal/mol:	50.1
Dipole, Da:	1.01
IP(EA), eV:	-8.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN3C=CN=C(C3=C2C=O)N4CCN(CC4)C5=CC=CC=C5F

DOS

IR

Vibrations