Geometry & MOs

Info

ID:	335921
PubChem CID:	127254783
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	386.186652
ΔH_f, kcal/mol:	36.27
Dipole, Da:	3.72
IP(EA), eV:	-8.81(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

C1=CC2=NN=C(N2C=C1)CNC(=O)CCCCCN3C=CC=C3

DOS

IR

Vibrations