Geometry & MOs

Info

ID:	133218
PubChem CID:	51495518
Reduced:	FON3C20H27 (1)
Stoich.:	ABC3D20E27 (1)
Weight, g/mol:	406.158923
ΔH_f, kcal/mol:	-22.52
Dipole, Da:	3.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.254489
Charge, e:	1

Chem-info

IUPAC name:

(2,7-dimethoxyquinolin-3-yl)methyl-(pyridin-3-ylmethyl)-(thiophen-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C[NH+](CCO)CC2=CN=CC=C2)F)N3CCCC3

DOS

IR

Vibrations