Geometry & MOs

Info

ID:	78772
PubChem CID:	49718210
Reduced:	N2F3O3C15H17 (1)
Stoich.:	A2B3C3D15E17 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-282.97
Dipole, Da:	5.57
IP(EA), eV:	-9.51(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycyclopentyl)methyl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)C(=O)NC2=CC=CC(=C2)C(F)(F)F)O

DOS

IR

Vibrations