Geometry & MOs

Info

ID:	343135
PubChem CID:	127266308
Reduced:	FOSN3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	291.138305
ΔH_f, kcal/mol:	-33.8
Dipole, Da:	5.5
IP(EA), eV:	-9.01(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyano-2-fluorophenyl)-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CSCCN1C(=O)NC2=C(C=CC(=C2)C#N)F

DOS

IR

Vibrations