Geometry & MOs

Info

ID:	355985
PubChem CID:	127290975
Reduced:	O2N3C15H29 (1)
Stoich.:	A2B3C15D29 (1)
Weight, g/mol:	309.166411
ΔH_f, kcal/mol:	-123.28
Dipole, Da:	2.85
IP(EA), eV:	-8.64(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-3-yl)-3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(C)CNC(=O)NC2CCCOC2

DOS

IR

Vibrations