Geometry & MOs

Info

ID:	196501
PubChem CID:	78838936
Reduced:	FON4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	317.073118
ΔH_f, kcal/mol:	-7.05
Dipole, Da:	3.03
IP(EA), eV:	-9.4(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-chlorophenyl)ethyl]-3-(2-cyano-4-fluorophenyl)urea

Drug info:

PubChemData

Smile

CC(C1=CC=NC=C1)NC(=O)NC2=C(C=C(C=C2)F)C#N

DOS

IR

Vibrations