Geometry & MOs

Info

ID:	59163
PubChem CID:	24775652
Reduced:	N3O6C27H29 (1)
Stoich.:	A3B6C27D29 (1)
Weight, g/mol:	519.110297
ΔH_f, kcal/mol:	-187.15
Dipole, Da:	3.86
IP(EA), eV:	-8.47(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-3-[2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-thiophen-2-yl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

COC1=NC2=C(C=CN=C2C=C1)CCC3(CCC4(CC3)CN(C(=O)O4)C5=CC6=C(C=C5)OCCO6)O

DOS

IR

Vibrations