Geometry & MOs

Info

ID:	191441
PubChem CID:	78146472
Reduced:	O11C22H26 (1)
Stoich.:	A11B22C26 (1)
Weight, g/mol:	601.270047
ΔH_f, kcal/mol:	-429.54
Dipole, Da:	5.51
IP(EA), eV:	-10.08(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-[(3-methoxyphenyl)methylideneamino]urea

Drug info:

PubChemData

Smile

CC12CC3(C4CC1(C4(C(O2)O3)OC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O

DOS

IR

Vibrations