Geometry & MOs

Info

ID:	30613
PubChem CID:	841573
Reduced:	ON4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	326.235814
ΔH_f, kcal/mol:	56.12
Dipole, Da:	4.87
IP(EA), eV:	-8.73(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-1-ethyl-2,3-dimethylindole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)C=NNC(=O)[C@H]2C[C@@H]2C3=CC=CC=C3

DOS

IR

Vibrations