Geometry & MOs

Info

ID:	419887
PubChem CID:	135109584
Reduced:	FON5C17H18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	331.153206
ΔH_f, kcal/mol:	-22.77
Dipole, Da:	3.21
IP(EA), eV:	-9.05(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)C(=O)C4=C(C=NC=C4)F

DOS

IR

Vibrations