Geometry & MOs

Info

ID:	120896
PubChem CID:	50749334
Reduced:	N3O4C25H29 (1)
Stoich.:	A3B4C25D29 (1)
Weight, g/mol:	343.113233
ΔH_f, kcal/mol:	-155.58
Dipole, Da:	6.79
IP(EA), eV:	-8.74(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-difluorophenyl)-1-methyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CCCN(CC1=CC(=O)NC2=C(C=C(C=C12)C)C)C(=O)NC3=CC=CC=C3C(=O)OCC

DOS

IR

Vibrations