Geometry & MOs

Info

ID:	279340
PubChem CID:	103843187
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	269.235479
ΔH_f, kcal/mol:	-144.57
Dipole, Da:	4.57
IP(EA), eV:	-9.52(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]cyclooctanecarboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)COC1=C(C=CC=C1C)C)CO

DOS

IR

Vibrations