Geometry & MOs

Info

ID:	22396
PubChem CID:	597137
Reduced:	N3O5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	435.179421
ΔH_f, kcal/mol:	-99.93
Dipole, Da:	7.36
IP(EA), eV:	-9.11(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7-(1,3-benzodioxol-5-yl)-7,9-bis(2-cyanoethyl)-8-oxo-1,4-dioxaspiro[4.5]decan-9-yl]propanenitrile

Drug info:

PubChemData

Smile

C1COC2(O1)CC(C(=O)C(C2)(CCC#N)C3=CC4=C(C=C3)OCO4)(CCC#N)CCC#N

DOS

IR

Vibrations