Geometry & MOs

Info

ID:	144050
PubChem CID:	53304970
Reduced:	ClOSN3C26H32 (1)
Stoich.:	ABCD3E26F32 (1)
Weight, g/mol:	370.225643
ΔH_f, kcal/mol:	3.51
Dipole, Da:	6.47
IP(EA), eV:	-8.05(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylamino]propoxy]chromen-2-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCSC[C@H]4CCCN5[C@@H]4CCCC5

DOS

IR

Vibrations