Geometry & MOs

Info

ID:	308859
PubChem CID:	126531651
Reduced:	ClON5C23H28 (1)
Stoich.:	ABC5D23E28 (1)
Weight, g/mol:	402.104752
ΔH_f, kcal/mol:	5.93
Dipole, Da:	4.52
IP(EA), eV:	-8.9(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(1R)-1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C1CCCNC1)NC2=C3C=C(C=CC3=NC=C2Cl)C4=CN=C(N=C4)C(C)(C)O

DOS

IR

Vibrations