Geometry & MOs

Info

ID:	269910
PubChem CID:	103619642
Reduced:	ON4C9H14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	348.96175
ΔH_f, kcal/mol:	-17.93
Dipole, Da:	1.7
IP(EA), eV:	-9.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)NCC1=NC=NC=C1

DOS

IR

Vibrations