Geometry & MOs

Info

ID:	69566
PubChem CID:	47193746
Reduced:	ION2F3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	399.98394
ΔH_f, kcal/mol:	-177.06
Dipole, Da:	5.7
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-3-(4-iodophenyl)-1-methylurea

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NC2=CC=C(C=C2)I)C(F)(F)F

DOS

IR

Vibrations