Geometry & MOs

Info

ID:	424295
PubChem CID:	135122085
Reduced:	N4O4H12C21 (1)
Stoich.:	A4B4C12D21 (1)
Weight, g/mol:	430.232853
ΔH_f, kcal/mol:	-25.31
Dipole, Da:	11.66
IP(EA), eV:	-8.63(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(hydroxymethyl)cyclopropyl]-3-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]urea

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC3=C4C=CC(=O)C=C4OC5=C3C(=C(C(=N5)N)C#N)N2)O)O

DOS

IR

Vibrations