Geometry & MOs

Info

ID:	79830
PubChem CID:	49830684
Reduced:	O2F3N4H13C17 (1)
Stoich.:	A2B3C4D13E17 (1)
Weight, g/mol:	346.104146
ΔH_f, kcal/mol:	-158.79
Dipole, Da:	8.23
IP(EA), eV:	-8.81(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylquinolin-4-yl)-3-[6-(trifluoromethyl)pyridin-2-yl]urea

Drug info:

PubChemData

Smile

COC1=CC2=NC=CC(=C2C=C1)NC(=O)NC3=CC=CC(=N3)C(F)(F)F

DOS

IR

Vibrations