Geometry & MOs

Info

ID:	422488
PubChem CID:	135117917
Reduced:	ClN3O3C15H20 (1)
Stoich.:	AB3C3D15E20 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-72.45
Dipole, Da:	2.59
IP(EA), eV:	-8.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]sulfonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CN(CCO)CC2=NC=CN2)Cl)OC

DOS

IR

Vibrations