Geometry & MOs

Info

ID:	360729
PubChem CID:	127301374
Reduced:	O2F3N4C14H19 (1)
Stoich.:	A2B3C4D14E19 (1)
Weight, g/mol:	390.224261
ΔH_f, kcal/mol:	-194.99
Dipole, Da:	3.0
IP(EA), eV:	-9.16(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2CCCN(C2)C3CCN(C3=O)CC(F)(F)F

DOS

IR

Vibrations