Geometry & MOs

Info

ID:	350219
PubChem CID:	127277297
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	284.209993
ΔH_f, kcal/mol:	-99.6
Dipole, Da:	3.59
IP(EA), eV:	-8.93(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclohexyl-2-hydroxyethyl)-3-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)NCC3COCCO3

DOS

IR

Vibrations