Geometry & MOs

Info

ID:	269911
PubChem CID:	103619644
Reduced:	BrClON3H9C14 (1)
Stoich.:	ABCD3E9F14 (1)
Weight, g/mol:	348.96175
ΔH_f, kcal/mol:	27.66
Dipole, Da:	4.99
IP(EA), eV:	-9.19(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-cyanophenyl)-3-(3-chlorophenyl)urea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)NC2=C(C=C(C=C2)C#N)Br)Cl

DOS

IR

Vibrations