Geometry & MOs

Info

ID:	415666
PubChem CID:	135088665
Reduced:	ClN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-48.26
Dipole, Da:	3.89
IP(EA), eV:	-9.93(-1.03)
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-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=CC(=CN=C3)Cl

DOS

IR

Vibrations