Geometry & MOs

Info

ID:	167298
PubChem CID:	74806006
Reduced:	SN3O4C22H28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	466.306967
ΔH_f, kcal/mol:	-41.89
Dipole, Da:	7.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.843444
Charge, e:	1

Chem-info

IUPAC name:

2-ethyl-N-[(2-morpholin-4-yl-7,8-dihydro-6H-cyclopenta[g]quinolin-1-ium-3-yl)methyl]-N-(oxolan-2-ylmethyl)butanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2=NOC(=N2)C[NH+]3CCC(CC3)C(C4=CC=CS4)O)OC

DOS

IR

Vibrations