Geometry & MOs

Info

ID:	276715
PubChem CID:	103824785
Reduced:	BrClON2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	303.9978
ΔH_f, kcal/mol:	-40.06
Dipole, Da:	6.78
IP(EA), eV:	-9.02(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-chlorophenyl)-3-tert-butylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations