Geometry & MOs

Info

ID:	198046
PubChem CID:	79037545
Reduced:	BrFON2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	318.01793
ΔH_f, kcal/mol:	-80.34
Dipole, Da:	6.85
IP(EA), eV:	-9.06(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2,6-difluorophenyl)-3-cyclopentylurea

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)NC2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations