Geometry & MOs

Info

ID:	49848
PubChem CID:	11533952
Reduced:	NO6C32H45 (1)
Stoich.:	AB6C32D45 (1)
Weight, g/mol:	539.351178
ΔH_f, kcal/mol:	-273.53
Dipole, Da:	3.37
IP(EA), eV:	-8.88(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-[4-[2-(4-phenylpiperidin-1-yl)ethyl]cyclohexyl]urea

Drug info:

PubChemData

Smile

CCC[C@@H](CC[C@@H](C)[C@@H](C(C)(C)CO)OC(=O)[C@H](C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC

DOS

IR

Vibrations