Geometry & MOs

Info

ID:	416142
PubChem CID:	135089150
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	326.144199
ΔH_f, kcal/mol:	-104.17
Dipole, Da:	3.6
IP(EA), eV:	-9.08(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(2,3-difluoro-6-methoxyphenyl)methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)C3=NNC4=C3COCC4

DOS

IR

Vibrations