Geometry & MOs

Info

ID:	279395
PubChem CID:	103843721
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	313.108086
ΔH_f, kcal/mol:	-115.59
Dipole, Da:	4.52
IP(EA), eV:	-9.01(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)/C=C/C1=CC=CC=C1OC)CO

DOS

IR

Vibrations