Geometry & MOs

Info

ID:	221884
PubChem CID:	85292006
Reduced:	NO2C21H21 (1)
Stoich.:	AB2C21D21 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-17.7
Dipole, Da:	3.31
IP(EA), eV:	-8.91(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[9-[6-(1,3-dioxolan-2-yl)hex-2-enyl]-1,4-dioxaspiro[4.4]nonan-8-yl]acetonitrile

Drug info:

PubChemData

Smile

CCC(=O)NCC1=C(C2=CC=CC=C2O1)CC=CC3=CC=CC=C3

DOS

IR

Vibrations