Geometry & MOs

Info

ID:	144049
PubChem CID:	53304961
Reduced:	FSN3H12C17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	469.195462
ΔH_f, kcal/mol:	78.24
Dipole, Da:	4.99
IP(EA), eV:	-8.84(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl]ethyl]-6-chloro-2-methoxyacridin-9-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN3C=C(N=C3S2)C4=CC=C(C=C4)F

DOS

IR

Vibrations