Geometry & MOs

Info

ID:	35607
PubChem CID:	7980093
Reduced:	N3O4H11C13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-67.22
Dipole, Da:	5.54
IP(EA), eV:	-11.16(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-cyclooctyl-2-(1,3-dioxoisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C#N)OC(=O)C1=NC(=CC=C1)C(=O)O[C@H](C)C#N

DOS

IR

Vibrations