Geometry & MOs

Info

ID:	190445
PubChem CID:	78007533
Reduced:	OCl2N5C29H29 (1)
Stoich.:	AB2C5D29E29 (1)
Weight, g/mol:	345.097663
ΔH_f, kcal/mol:	72.78
Dipole, Da:	4.29
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[7-(trifluoromethyl)quinolin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol

Drug info:

PubChemData

Smile

CCN1C(=O)C2C(N=C(N2CC3=CC(=C(C(=C3)Cl)C)Cl)C#CC4=CC=CC=C4)N5C1=NC6(C5)CCCC6

DOS

IR

Vibrations