Geometry & MOs

Info

ID:	269914
PubChem CID:	103619652
Reduced:	BrON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	281.01637
ΔH_f, kcal/mol:	-8.14
Dipole, Da:	7.8
IP(EA), eV:	-9.28(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)NC1=C(C=C(C=C1)C#N)Br

DOS

IR

Vibrations