Geometry & MOs

Info

ID:	415699
PubChem CID:	135088699
Reduced:	FO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-95.3
Dipole, Da:	7.07
IP(EA), eV:	-9.23(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,5S,6R,7R)-3-methylsulfonyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1CC(=O)NCCC2=CC=C(C=C2)F)O)CC3=CC=CC=N3

DOS

IR

Vibrations