Geometry & MOs

Info

ID:	189419
PubChem CID:	77853223
Reduced:	OSN5C18H23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	20.36
Dipole, Da:	6.02
IP(EA), eV:	-8.83(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(cyclopropylmethyl)-3-(quinoline-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-7-one

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCC(=O)N2CC3CCC2CN(C3)C4=NC=CN=C4

DOS

IR

Vibrations