Geometry & MOs

Info

ID:	343187
PubChem CID:	127266360
Reduced:	OF3N4C12H15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-182.61
Dipole, Da:	5.89
IP(EA), eV:	-9.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxycyclohexyl)-1-[(3-hydroxyphenyl)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(F)(F)F)NC(=O)NC2=NC=NC=C2

DOS

IR

Vibrations