Geometry & MOs

Info

ID:	417766
PubChem CID:	135102673
Reduced:	FN5O5C26H28 (1)
Stoich.:	AB5C5D26E28 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-162.12
Dipole, Da:	6.11
IP(EA), eV:	-9.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(2,4,6-trimethylphenyl)methanone

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C(=O)NCCCN(CCCC(=O)NCC3=C(O2)C=CC=C3F)C(=O)C4=CNN=C4

DOS

IR

Vibrations