Geometry & MOs

Info

ID:	45831
PubChem CID:	10518027
Reduced:	N2O5C14H20 (1)
Stoich.:	A2B5C14D20 (1)
Weight, g/mol:	296.162374
ΔH_f, kcal/mol:	-133.5
Dipole, Da:	6.53
IP(EA), eV:	-9.5(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-(1,3-benzodioxol-5-yl)-5,5-diethoxypentan-2-ol

Drug info:

PubChemData

Smile

CC(C)NCC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)C(=O)OC

DOS

IR

Vibrations