Geometry & MOs

Info

ID:	26536
PubChem CID:	651926
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	448.247441
ΔH_f, kcal/mol:	-139.82
Dipole, Da:	4.67
IP(EA), eV:	-8.72(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenylurea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=C2C(=O)OC)C(=O)OC)CCCN

DOS

IR

Vibrations