Geometry & MOs

Info

ID:	435156
PubChem CID:	135182416
Reduced:	ON2C11H24 (1)
Stoich.:	AB2C11D24 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-61.72
Dipole, Da:	1.56
IP(EA), eV:	-8.69(2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-3-ethoxy-2-ethyl-3-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)COCCN1CCNCC1

DOS

IR

Vibrations