Geometry & MOs

Info

ID:	421726
PubChem CID:	135116505
Reduced:	SO2N6C17H22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-17.64
Dipole, Da:	5.51
IP(EA), eV:	-9.12(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(8-methoxy-4-methylquinolin-2-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CCN1CCNC(=O)C1CC(=O)NCCC2=CSC(=N2)C3=NC=CN=C3

DOS

IR

Vibrations