Geometry & MOs

Info

ID:	62866
PubChem CID:	26737382
Reduced:	NO9C19H31 (1)
Stoich.:	AB9C19D31 (1)
Weight, g/mol:	383.282429
ΔH_f, kcal/mol:	-444.43
Dipole, Da:	1.5
IP(EA), eV:	-9.78(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[4-(1-adamantyl)phenoxy]-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)CCO[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

DOS

IR

Vibrations