Geometry & MOs

Info

ID:	33924
PubChem CID:	7888827
Reduced:	OS2N5H15C18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	97.27
Dipole, Da:	3.69
IP(EA), eV:	-8.78(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NC(=CS1)C2=CC=CC=C2)SC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations