Geometry & MOs

Info

ID:	417789
PubChem CID:	135102768
Reduced:	F3O3N4C16H17 (1)
Stoich.:	A3B3C4D16E17 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-179.45
Dipole, Da:	3.63
IP(EA), eV:	-8.98(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-oxaspiro[4.5]decan-3-yl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CCN(CC2=O)CC3=NC(=NO3)C(F)(F)F

DOS

IR

Vibrations