Geometry & MOs

Info

ID:	207392
PubChem CID:	80391214
Reduced:	BrNOF2H10C14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	229.066283
ΔH_f, kcal/mol:	-85.31
Dipole, Da:	4.54
IP(EA), eV:	-9.1(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-(2,4-difluorophenyl)acetyl]amino]urea

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)Br)C(=O)CC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations