Geometry & MOs

Info

ID:	174789
PubChem CID:	75814409
Reduced:	ClN2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	313.202836
ΔH_f, kcal/mol:	-71.96
Dipole, Da:	3.46
IP(EA), eV:	-8.8(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-cyclopropyl-2-(1H-indol-3-yl)-N-[(1-methylimidazolidin-1-ium-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CC2CC1CC2C(=O)NC3=CC(=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)Cl

DOS

IR

Vibrations