Geometry & MOs

Info

ID:	59207
PubChem CID:	24775743
Reduced:	N4O6C27H28 (1)
Stoich.:	A4B6C27D28 (1)
Weight, g/mol:	597.070846
ΔH_f, kcal/mol:	-188.81
Dipole, Da:	6.43
IP(EA), eV:	-8.71(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2,3-dichlorophenoxy)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]-1,1,1-trifluoropropan-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)OCC(=O)N6)O

DOS

IR

Vibrations