Geometry & MOs

Info

ID:	187072
PubChem CID:	77528344
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	432.243773
ΔH_f, kcal/mol:	7.83
Dipole, Da:	5.63
IP(EA), eV:	-8.42(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-3-[4-[(3-methylpyrazolidin-4-yl)-phenylmethyl]piperazin-1-yl]pyrazine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)OCC2CCCN2)NC3=NC=C(C(=N3)C4=CN=C5N4C=CC=C5)OC

DOS

IR

Vibrations