Geometry & MOs

Info

ID:	79500
PubChem CID:	49786860
Reduced:	OSN5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	42.14
Dipole, Da:	3.35
IP(EA), eV:	-8.21(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCCNC1=NC(=NC2=C1SC(=C2)C3=CC=CC=C3)NCC=C

DOS

IR

Vibrations