Geometry & MOs

Info

ID:	318020
PubChem CID:	126648367
Reduced:	ON4C28H28 (1)
Stoich.:	AB4C28D28 (1)
Weight, g/mol:	500.184226
ΔH_f, kcal/mol:	70.76
Dipole, Da:	1.55
IP(EA), eV:	-8.29(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-[2-(3-methoxyphenyl)ethyl]-1-[4-[4-(trifluoromethyl)phenyl]quinolin-2-yl]propan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)OC)NC(C)C2=CC3=CC=CC=C3C(=C2)C4=CC5=C(C=C4)NN=C5N

DOS

IR

Vibrations