Geometry & MOs

Info

ID:	282321
PubChem CID:	103922183
Reduced:	NO2C13H27 (1)
Stoich.:	AB2C13D27 (1)
Weight, g/mol:	241.204179
ΔH_f, kcal/mol:	-126.3
Dipole, Da:	2.07
IP(EA), eV:	-8.87(2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]hexan-1-ol

Drug info:

PubChemData

Smile

CCCCOC1CC(C1(C)C)NC[C@@H](C)O

DOS

IR

Vibrations