Geometry & MOs

Info

ID:	190178
PubChem CID:	77963165
Reduced:	O2F3N4H17C19 (1)
Stoich.:	A2B3C4D17E19 (1)
Weight, g/mol:	502.223198
ΔH_f, kcal/mol:	-138.89
Dipole, Da:	8.9
IP(EA), eV:	-9.18(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[5-(difluoromethyl)-2-fluorophenyl]ethynyl]-2,2,4,8-tetramethyl-6-(3-methyl-1H-indol-7-yl)-3,4-dihydro-1H-quinolin-3-ol

Drug info:

PubChemData

Smile

CC(C(C1NN=C(O1)C2=CC=CC=C2)NC3=CC(=C(C=C3)C#N)C(F)(F)F)O

DOS

IR

Vibrations