Geometry & MOs

Info

ID:	324777
PubChem CID:	126678329
Reduced:	ON2H30C52 (1)
Stoich.:	AB2C30D52 (1)
Weight, g/mol:	356.117235
ΔH_f, kcal/mol:	228.05
Dipole, Da:	2.15
IP(EA), eV:	-8.08(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dihydroxyphenyl)-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=CC5=C4C6=CC=CC=C6O5)C7=C3C8=C(C=C7)C9=CC=CC=C9N8C1=CC2=C3C(=C1)C=CC=C3C1=CC=CC=C12

DOS

IR

Vibrations