Geometry & MOs

Info

ID:	422820
PubChem CID:	135118470
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	312.104084
ΔH_f, kcal/mol:	-19.9
Dipole, Da:	2.76
IP(EA), eV:	-8.66(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@]2(CCN(C[C@H]2NC1)C3=NC=CS3)CO

DOS

IR

Vibrations