Geometry & MOs

Info

ID:	158947
PubChem CID:	57244276
Reduced:	BrNH16C17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	514.226786
ΔH_f, kcal/mol:	97.69
Dipole, Da:	0.86
IP(EA), eV:	-9.47(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enyl 2-(4-phenylmethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C#CCC(C1=CC=CC=C1)C(C2=CC=C(C=C2)Br)N

DOS

IR

Vibrations