Geometry & MOs

Info

ID:	195502
PubChem CID:	78695015
Reduced:	SN3O3H15C18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	322.191937
ΔH_f, kcal/mol:	35.91
Dipole, Da:	5.54
IP(EA), eV:	-9.1(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-(1-phenylethyl)azanium

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C(=O)C(=CC3=CC=CC=C3[N+](=O)[O-])NC2=S

DOS

IR

Vibrations