Geometry & MOs

Info

ID:	37823
PubChem CID:	8024885
Reduced:	NOC14H29 (1)
Stoich.:	ABC14D29 (1)
Weight, g/mol:	212.201439
ΔH_f, kcal/mol:	-98.68
Dipole, Da:	1.81
IP(EA), eV:	-8.73(2.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2S,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-[(2R)-2-hydroxypropyl]azanium

Drug info:

PubChemData

Smile

CCOCCCN[C@@H]1C[C@@H](CC(C1)(C)C)C

DOS

IR

Vibrations