Geometry & MOs

Info

ID:	311090
PubChem CID:	126589313
Reduced:	FNO5C20H24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	316.158706
ΔH_f, kcal/mol:	-192.03
Dipole, Da:	1.9
IP(EA), eV:	-8.44(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-3-methylurea

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2OCC)N(C(=O)OC)O)F

DOS

IR

Vibrations