Geometry & MOs

Info

ID:	279171
PubChem CID:	103841828
Reduced:	BrClNOC11H13 (1)
Stoich.:	ABCDE11F13 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-34.61
Dipole, Da:	5.0
IP(EA), eV:	-9.62(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclobutyl-3-(4-hydroxycyclohexyl)urea

Drug info:

PubChemData

Smile

CC(C)N(C)C(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations