Geometry & MOs

Info

ID:	308944
PubChem CID:	126532368
Reduced:	SN7H15C22 (1)
Stoich.:	AB7C15D22 (1)
Weight, g/mol:	330.093519
ΔH_f, kcal/mol:	226.62
Dipole, Da:	8.5
IP(EA), eV:	-8.56(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]quinolin-4-amine

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=CC(=CN=C6)N)NN4)/C=C32

DOS

IR

Vibrations