Geometry & MOs

Info

ID:	424287
PubChem CID:	135122048
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-140.43
Dipole, Da:	2.33
IP(EA), eV:	-9.12(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(hydroxymethyl)cyclobutyl]-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]urea

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(C(=C1CC=CC2=CC=CC=C2)C(=O)OCC)C)C

DOS

IR

Vibrations