Geometry & MOs

Info

ID:	58316
PubChem CID:	24697767
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	283.11209
ΔH_f, kcal/mol:	-18.5
Dipole, Da:	3.53
IP(EA), eV:	-8.62(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyanoethyl)-3-(2-fluorophenyl)-1-phenylurea

Drug info:

PubChemData

Smile

CCN(CC)CC(=O)NC1=CC=CC(=C1)C(=S)N

DOS

IR

Vibrations