Geometry & MOs

Info

ID:	348174
PubChem CID:	127273236
Reduced:	F2O2N3C22H23 (1)
Stoich.:	A2B2C3D22E23 (1)
Weight, g/mol:	256.160935
ΔH_f, kcal/mol:	-140.03
Dipole, Da:	5.47
IP(EA), eV:	-9.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-N-(thian-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CC1NC(=O)N3CCN(CC3)C(=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations