Geometry & MOs

Info

ID:	260573
PubChem CID:	103195765
Reduced:	FN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	311.166748
ΔH_f, kcal/mol:	-102.24
Dipole, Da:	3.38
IP(EA), eV:	-9.0(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-carbamothioylcyclohexanecarbonyl)-N-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1F)CN2CC3C(C2=O)CCCN3

DOS

IR

Vibrations