Geometry & MOs

Info

ID:	344577
PubChem CID:	127268161
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	397.227789
ΔH_f, kcal/mol:	10.83
Dipole, Da:	3.11
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CCN(C2)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations