Geometry & MOs

Info

ID:	148809
PubChem CID:	53788478
Reduced:	N5C13H13 (1)
Stoich.:	A5B13C13 (1)
Weight, g/mol:	505.20402
ΔH_f, kcal/mol:	86.5
Dipole, Da:	3.73
IP(EA), eV:	-8.94(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-6-(2-hydroxyethyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinolin-5-ol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N)N(C)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations