Geometry & MOs

Info

ID:	415311
PubChem CID:	135088305
Reduced:	O5N10C29H34 (1)
Stoich.:	A5B10C29D34 (1)
Weight, g/mol:	308.153621
ΔH_f, kcal/mol:	-33.84
Dipole, Da:	13.58
IP(EA), eV:	-9.57(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-3-methoxyphenyl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)COC4=CC=C(C=C4)N5C=NN=N5

DOS

IR

Vibrations