Geometry & MOs

Info

ID:	190568
PubChem CID:	78021213
Reduced:	O2Cl3N3C22H26 (1)
Stoich.:	A2B3C3D22E26 (1)
Weight, g/mol:	331.196986
ΔH_f, kcal/mol:	-75.86
Dipole, Da:	2.49
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-tert-butyl-5-(thiolan-3-yl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCN(CC1)C2CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations