Geometry & MOs

Info

ID:	429335
PubChem CID:	135169304
Reduced:	FON7C26H28 (1)
Stoich.:	ABC7D26E28 (1)
Weight, g/mol:	455.248524
ΔH_f, kcal/mol:	22.7
Dipole, Da:	6.92
IP(EA), eV:	-8.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-(8-fluoro-4-piperidin-1-ylquinolin-6-yl)-7H-cyclopenta[b]pyridin-3-yl]ethenyl]-3-methyliminopropan-1-amine

Drug info:

PubChemData

Smile

CN=CCCNC(=O)C1=CC2=C(NC=C2C3=CC4=C(C=CN=C4C(=C3)F)N5CCC[C@H](C5)N)N=C1

DOS

IR

Vibrations