Geometry & MOs

Info

ID:	269912
PubChem CID:	103619645
Reduced:	BrClON3H9C14 (1)
Stoich.:	ABCD3E9F14 (1)
Weight, g/mol:	382.92278
ΔH_f, kcal/mol:	26.94
Dipole, Da:	3.92
IP(EA), eV:	-9.39(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-cyanophenyl)-3-(3,4-dichlorophenyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations