Geometry & MOs

Info

ID:	323373
PubChem CID:	126674611
Reduced:	N2O2F3C15H19 (1)
Stoich.:	A2B2C3D15E19 (1)
Weight, g/mol:	399.176976
ΔH_f, kcal/mol:	-244.71
Dipole, Da:	8.18
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-acetylazetidin-3-yl)oxy-5-(trifluoromethyl)phenyl]-3-cyclohexylurea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(F)(F)F)NC(=O)NC2CCCCC2

DOS

IR

Vibrations