Geometry & MOs

Info

ID:

136504

PubChem CID:

52051496

Reduced:

FN4O4H27C30 (1)

Stoich.:

AB4C4D27E30 (1)

Weight, g/mol:

515.290783

ΔHf, kcal/mol:

-62.73

Dipole, Da:

5.91

IP(EA), eV:

 -8.95(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[1-[2-fluoro-4-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-4-carbonyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC5=C(C=C4)OCO5)F)C(=O)N[C@H]6CCC7=CC=CC=C67

DOS

IR

Vibrations