Geometry & MOs

Info

ID:	343996
PubChem CID:	127267172
Reduced:	FNSO5C15H20 (1)
Stoich.:	ABCD5E15F20 (1)
Weight, g/mol:	301.140197
ΔH_f, kcal/mol:	-233.34
Dipole, Da:	2.15
IP(EA), eV:	-9.41(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methylpyridin-4-yl)ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC=C1F)NS(=O)(=O)CCOCC2CCC2

DOS

IR

Vibrations