Geometry & MOs

Info

ID:	47755
PubChem CID:	10535140
Reduced:	NO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	170.057909
ΔH_f, kcal/mol:	-88.08
Dipole, Da:	2.7
IP(EA), eV:	-9.68(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R,6S)-2-(hydroxymethyl)-3,7-dioxatricyclo[4.3.0.02,4]nonan-8-one

Drug info:

PubChemData

Smile

COC(=O)[C@H](C1CCCC=C1)N

DOS

IR

Vibrations