Geometry & MOs

Info

ID:	56010
PubChem CID:	17403731
Reduced:	OS2N6H12C15 (1)
Stoich.:	AB2C6D12E15 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	111.1
Dipole, Da:	6.08
IP(EA), eV:	-8.84(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC(=O)C4=C(N3)C=CS4

DOS

IR

Vibrations