Geometry & MOs

Info

ID:	322203
PubChem CID:	126669206
Reduced:	F2O3N4H18C20 (1)
Stoich.:	A2B3C4D18E20 (1)
Weight, g/mol:	425.190341
ΔH_f, kcal/mol:	-151.01
Dipole, Da:	6.11
IP(EA), eV:	-8.14(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[2-[1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]quinolin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)F)[C@@H]2CNC(=O)[C@H]2NC(=O)NC3=CC4=C(C=C3)NC=C4)F

DOS

IR

Vibrations