Geometry & MOs

Info

ID:	269913
PubChem CID:	103619646
Reduced:	BrOCl2N3H8C14 (1)
Stoich.:	ABC2D3E8F14 (1)
Weight, g/mol:	295.03202
ΔH_f, kcal/mol:	21.94
Dipole, Da:	5.87
IP(EA), eV:	-9.3(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-cyanophenyl)-3-butylurea

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)Br)NC(=O)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations