Geometry & MOs

Info

ID:	172392
PubChem CID:	75503739
Reduced:	BrFO2N3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	-53.54
Dipole, Da:	4.38
IP(EA), eV:	-9.78(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-1,3-dioxolan-2-yl)-N-thiophen-3-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NOC=N1)NC(=O)CCC2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations