Geometry & MOs

Info

ID:	399816
PubChem CID:	135042915
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	-71.93
Dipole, Da:	4.44
IP(EA), eV:	-9.41(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4'E,10'S)-5',9',9'-trimethylspiro[1,3-dioxolane-2,6'-11-oxabicyclo[8.2.1]trideca-1(13),4-diene]-12'-one

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations