Geometry & MOs

Info

ID:	43432
PubChem CID:	10321287
Reduced:	ON3F4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	445.186478
ΔH_f, kcal/mol:	-197.36
Dipole, Da:	1.92
IP(EA), eV:	-9.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,2-dimethyl-6-[4-[4-(trifluoromethyl)phenyl]quinolin-2-yl]oxyhexanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=C(C(=C2)C(C)C)C(=O)NCC3=CC=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations