Geometry & MOs

Info

ID:	67849
PubChem CID:	46507294
Reduced:	BrO2N5H22C24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	429.196489
ΔH_f, kcal/mol:	69.17
Dipole, Da:	5.02
IP(EA), eV:	-8.42(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)C3=NC=CN4C3=C(C(=N4)C5=CC=C(C=C5)Br)C=O

DOS

IR

Vibrations