Geometry & MOs

Info

ID:	272004
PubChem CID:	103715680
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	339.01062
ΔH_f, kcal/mol:	-87.93
Dipole, Da:	3.59
IP(EA), eV:	-9.11(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(7-bromo-1,3-benzodioxol-5-yl)-hydroxymethyl]oxane-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1OC)(C2(CCCOC2)C#N)O

DOS

IR

Vibrations