Geometry & MOs

Info

ID:	67838
PubChem CID:	46507277
Reduced:	FO2N5H22C24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	441.216475
ΔH_f, kcal/mol:	21.37
Dipole, Da:	3.91
IP(EA), eV:	-8.65(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN3C=CN=C(C3=C2C=O)N4CCN(CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations