Geometry & MOs

Info

ID:	154780
PubChem CID:	56314302
Reduced:	FOSN3H22C23 (1)
Stoich.:	ABCD3E22F23 (1)
Weight, g/mol:	362.236956
ΔH_f, kcal/mol:	-0.15
Dipole, Da:	2.3
IP(EA), eV:	-8.91(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CC1=CSC2=NC(=CN12)C3=CC=CC=C3)C4=CC=CC=C4F

DOS

IR

Vibrations