Geometry & MOs

Info

ID:	322274
PubChem CID:	126669578
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	468.182476
ΔH_f, kcal/mol:	14.18
Dipole, Da:	2.01
IP(EA), eV:	-8.8(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3-fluoro-5-methoxyphenyl)-N-[1-[4-[4-(trifluoromethyl)phenyl]quinolin-2-yl]ethyl]ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)OC)NC(C)C2=CC3=CC=CC=C3C(=N2)C4=CN(N=C4)CCO

DOS

IR

Vibrations