Geometry & MOs

Info

ID:	410779
PubChem CID:	135083580
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	126.104465
ΔH_f, kcal/mol:	-72.63
Dipole, Da:	1.26
IP(EA), eV:	-8.91(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-1-propyl-6-oxabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CC/C=C(\C)/NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations