Geometry & MOs

Info

ID:	342815
PubChem CID:	127265978
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-61.17
Dipole, Da:	6.62
IP(EA), eV:	-9.22(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-methoxyquinolin-6-yl)-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

COC1=C(N=NC=C1)NC(=O)NC(CCCO)C2=CC=CC=C2

DOS

IR

Vibrations