Geometry & MOs

Info

ID:	399335
PubChem CID:	135039707
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	156.11503
ΔH_f, kcal/mol:	-62.4
Dipole, Da:	5.48
IP(EA), eV:	-9.3(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7R)-5-ethyl-7-methyl-6,8-dioxabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2N=C1CN

DOS

IR

Vibrations