Geometry & MOs

Info

ID:	129525
PubChem CID:	51072950
Reduced:	O2F3N3C13H16 (1)
Stoich.:	A2B3C3D13E16 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-213.04
Dipole, Da:	8.74
IP(EA), eV:	-9.14(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(1,3-benzoxazol-2-yl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCNC(=O)NCC(=O)NC1=C(C(=C(C=C1)F)F)F

DOS

IR

Vibrations