Geometry & MOs

Info

ID:	79829
PubChem CID:	49830660
Reduced:	N4O5C29H30 (1)
Stoich.:	A4B5C29D30 (1)
Weight, g/mol:	362.09906
ΔH_f, kcal/mol:	-98.26
Dipole, Da:	6.63
IP(EA), eV:	-9.16(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-methoxyquinolin-4-yl)-3-[6-(trifluoromethyl)pyridin-2-yl]urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C(=O)C2=CC=CC3=CC=CC=C32)C4=CC(=CC=C4)OCC(=O)NCCO

DOS

IR

Vibrations