Geometry & MOs

Info

ID:	196503
PubChem CID:	78838938
Reduced:	FOSN4H17C20 (1)
Stoich.:	ABCD4E17F20 (1)
Weight, g/mol:	341.11757
ΔH_f, kcal/mol:	3.61
Dipole, Da:	4.7
IP(EA), eV:	-9.22(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyano-4-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylurea

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)NC4=C(C=C(C=C4)F)C#N

DOS

IR

Vibrations