Geometry & MOs

Info

ID:	279262
PubChem CID:	103842346
Reduced:	BrClON4H8C10 (1)
Stoich.:	ABCD4E8F10 (1)
Weight, g/mol:	318.090183
ΔH_f, kcal/mol:	39.22
Dipole, Da:	2.65
IP(EA), eV:	-9.8(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichlorophenyl)-3-[2-ethyl-2-(hydroxymethyl)butyl]urea

Drug info:

PubChemData

Smile

CN1C(=NC=N1)NC(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations