Geometry & MOs

Info

ID:	367893
PubChem CID:	127326046
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	379.180839
ΔH_f, kcal/mol:	-14.28
Dipole, Da:	3.43
IP(EA), eV:	-8.66(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[1-(3-fluorophenyl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1)N2CCN(CC2)C3CCCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations