Geometry & MOs

Info

ID:	417133
PubChem CID:	135091415
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-32.35
Dipole, Da:	2.76
IP(EA), eV:	-8.62(-0.86)
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]-quinolin-5-ylmethanone

Drug info:

PubChemData

Smile

CC(C)CCCN1C[C@H]([C@@H](C1)O)CC2=NC=CN=C2

DOS

IR

Vibrations