Geometry & MOs

Info

ID:	166589
PubChem CID:	74712638
Reduced:	FNO5C26H26 (1)
Stoich.:	ABC5D26E26 (1)
Weight, g/mol:	480.23995
ΔH_f, kcal/mol:	-187.13
Dipole, Da:	6.26
IP(EA), eV:	-8.37(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-amino-1-(2-cyanophenyl)-4-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C1C(=O)OC)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)F)OC)C(=O)CCC2

DOS

IR

Vibrations