Geometry & MOs

Info

ID:	344215
PubChem CID:	127267391
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	274.111756
ΔH_f, kcal/mol:	-95.73
Dipole, Da:	2.25
IP(EA), eV:	-8.16(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2C(N(C1)C(=O)C=C)C)OC)OC

DOS

IR

Vibrations