Geometry & MOs

Info

ID:	64200
PubChem CID:	29198244
Reduced:	N2O2H9C11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	33.27
Dipole, Da:	9.93
IP(EA), eV:	-9.23(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethyl]-propan-2-ylsulfonylazanide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)NCC4=CC=CO4

DOS

IR

Vibrations