Geometry & MOs

Info

ID:	191419
PubChem CID:	78144865
Reduced:	NO2C21H29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	390.197714
ΔH_f, kcal/mol:	-78.04
Dipole, Da:	4.93
IP(EA), eV:	-8.56(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopentyl-8-piperidin-1-ylsulfonyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

Drug info:

PubChemData

Smile

CC(=O)N1C(C2CCCOC2C3=C1C=CC(=C3)C(C)(C)C)C4CC4

DOS

IR

Vibrations