Geometry & MOs

Info

ID:	421758
PubChem CID:	135116550
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	31.33
Dipole, Da:	3.3
IP(EA), eV:	-9.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-quinolin-3-ylmethanone

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)C(=O)CNC5CC5

DOS

IR

Vibrations