Geometry & MOs

Info

ID:	132073
PubChem CID:	51302436
Reduced:	OSN2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	62.85
Dipole, Da:	7.35
IP(EA), eV:	-8.75(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azocan-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NC(=CS2)CSC3=NN=CN3CC4=CC=CO4

DOS

IR

Vibrations