Geometry & MOs

Info

ID:	62867
PubChem CID:	26737385
Reduced:	NO2C25H37 (1)
Stoich.:	AB2C25D37 (1)
Weight, g/mol:	384.290254
ΔH_f, kcal/mol:	-109.95
Dipole, Da:	1.74
IP(EA), eV:	-8.58(0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C[C@H](COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O

DOS

IR

Vibrations