Geometry & MOs

Info

ID:	196504
PubChem CID:	78838939
Reduced:	FN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	297.12774
ΔH_f, kcal/mol:	-78.95
Dipole, Da:	7.38
IP(EA), eV:	-9.04(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)NC3=C(C=C(C=C3)F)C#N

DOS

IR

Vibrations