Geometry & MOs

Info

ID:	173594
PubChem CID:	75659142
Reduced:	FOSN3C20H27 (1)
Stoich.:	ABCD3E20F27 (1)
Weight, g/mol:	331.238553
ΔH_f, kcal/mol:	-42.76
Dipole, Da:	20.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.063737
Charge, e:	1

Chem-info

IUPAC name:

1-[6-(1-hydroxy-2-pyrrolidin-1-ium-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CCC(C[NH+]1CCCCC1)NC(=O)CC2=CSC(=N2)C3=CC(=CC=C3)F

DOS

IR

Vibrations