Geometry & MOs

Info

ID:	137308
PubChem CID:	52187592
Reduced:	F2O2N3C17H20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	352.098998
ΔH_f, kcal/mol:	-109.99
Dipole, Da:	5.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759316
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-1-methylurea

Drug info:

PubChemData

Smile

C1CC[NH+](C1)[C@@H](CNC(=O)NC2=C(C=CC(=C2)F)F)C3=CC=CO3

DOS

IR

Vibrations