Geometry & MOs

Info

ID:	217840
PubChem CID:	85088476
Reduced:	O2N3F4H19C20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	405.151155
ΔH_f, kcal/mol:	-257.0
Dipole, Da:	4.08
IP(EA), eV:	-8.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(trifluoromethyl)phenyl]-3-[(3,4,5-trihydroxy-6-oxo-1-propylpiperidin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CC(=O)NCC1CNC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations