Geometry & MOs

Info

ID:	369261
PubChem CID:	127331639
Reduced:	NOSC12H23 (1)
Stoich.:	ABCD12E23 (1)
Weight, g/mol:	393.196489
ΔH_f, kcal/mol:	-83.94
Dipole, Da:	3.88
IP(EA), eV:	-8.62(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)N1CCSC(C1C)C

DOS

IR

Vibrations