Geometry & MOs

Info

ID:	423773
PubChem CID:	135120180
Reduced:	ClFO2N3C18H19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-78.85
Dipole, Da:	4.65
IP(EA), eV:	-9.32(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-3-(2-piperidin-1-ylethylamino)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=C(N4C=C(C=CC4=N3)Cl)F)OCC1

DOS

IR

Vibrations