Geometry & MOs

Info

ID:	84050
PubChem CID:	49863883
Reduced:	FSN2O2C16H19 (1)
Stoich.:	ABC2D2E16F19 (1)
Weight, g/mol:	357.197176
ΔH_f, kcal/mol:	-13.03
Dipole, Da:	3.3
IP(EA), eV:	-8.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]propyl]-7-chloroquinolin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C#CC2=C/C(=N/OCCOCCF)/CCC2

DOS

IR

Vibrations