Geometry & MOs

Info

ID:	367880
PubChem CID:	127326033
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	379.180839
ΔH_f, kcal/mol:	-48.7
Dipole, Da:	3.2
IP(EA), eV:	-8.83(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C2CCN(CC2)C3CCCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations