Geometry & MOs

Info

ID:	125870
PubChem CID:	50941652
Reduced:	ON3C27H29 (1)
Stoich.:	AB3C27D29 (1)
Weight, g/mol:	261.103479
ΔH_f, kcal/mol:	61.01
Dipole, Da:	3.67
IP(EA), eV:	-8.81(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-3H-quinolin-1-yl] methanesulfonate

Drug info:

PubChemData

Smile

CCOC[C@H](CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N

DOS

IR

Vibrations