Geometry & MOs

Info

ID:	306410
PubChem CID:	125011619
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	274.148141
ΔH_f, kcal/mol:	35.63
Dipole, Da:	5.11
IP(EA), eV:	-9.11(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylpiperidin-3-yl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)CC(=O)N2CCCC[C@H]2C3=NC4=NC=CN4C=C3

DOS

IR

Vibrations