Geometry & MOs

Info

ID:	329556
PubChem CID:	126738171
Reduced:	F3O5N6C37H41 (1)
Stoich.:	A3B5C6D37E41 (1)
Weight, g/mol:	541.268905
ΔH_f, kcal/mol:	-269.63
Dipole, Da:	10.6
IP(EA), eV:	-8.72(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-[4-(methylamino)piperidin-1-yl]phenyl]urea

Drug info:

PubChemData

Smile

CN1CCC(CC1)C(=O)NC2CCN(CC2)C3=C(C=C(C=C3)NC(=O)NC4=CC(=CC=C4)OC5=C6C=C(C(=CC6=NC=C5)OC)OC)C(F)(F)F

DOS

IR

Vibrations