Geometry & MOs

Info

ID:	416067
PubChem CID:	135089075
Reduced:	OSN4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	333.124405
ΔH_f, kcal/mol:	-0.72
Dipole, Da:	5.87
IP(EA), eV:	-8.85(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CN=C(C=C1)NCCC2=NC3=C(S2)CCCC3

DOS

IR

Vibrations