Geometry & MOs

Info

ID:	228432
PubChem CID:	87564444
Reduced:	FSN3O4C35H38 (1)
Stoich.:	ABC3D4E35F38 (1)
Weight, g/mol:	346.168128
ΔH_f, kcal/mol:	-127.93
Dipole, Da:	3.57
IP(EA), eV:	-8.86(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(cyclopentylamino)phenoxy]quinolin-6-yl]acetaldehyde

Drug info:

PubChemData

Smile

C1CN(C(C[C@H]1N(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)F)CCCN(CC4=CC=CC=C4)CC5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations