Geometry & MOs

Info

ID:	342679
PubChem CID:	127265839
Reduced:	OF3N3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-146.65
Dipole, Da:	6.78
IP(EA), eV:	-9.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-1-phenylbutyl)-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea

Drug info:

PubChemData

Smile

C1CC(C1)(C(F)(F)F)NC(=O)NC2=CC=CC(=C2)C#N

DOS

IR

Vibrations