Geometry & MOs

Info

ID:	323419
PubChem CID:	126674762
Reduced:	F3N3O4C22H26 (1)
Stoich.:	A3B3C4D22E26 (1)
Weight, g/mol:	316.139862
ΔH_f, kcal/mol:	-291.31
Dipole, Da:	7.9
IP(EA), eV:	-9.33(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1NC(=O)NC2CCC(CC2)OCC3=CC=NC=C3)C(F)(F)F)CO

DOS

IR

Vibrations