Geometry & MOs

Info

ID:	173147
PubChem CID:	75603864
Reduced:	N3F4O4C23H23 (1)
Stoich.:	A3B4C4D23E23 (1)
Weight, g/mol:	367.169605
ΔH_f, kcal/mol:	-293.46
Dipole, Da:	4.34
IP(EA), eV:	-9.6(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)C(=O)C(CC4=CC=CC=C4)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations