Geometry & MOs

Info

ID:	167259
PubChem CID:	74799168
Reduced:	SO2N4C25H31 (1)
Stoich.:	AB2C4D25E31 (1)
Weight, g/mol:	369.278013
ΔH_f, kcal/mol:	2.6
Dipole, Da:	12.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759863
Charge, e:	2

Chem-info

IUPAC name:

N-cyclopropyl-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1C[NH+](CCC1C2(C(=O)N(C(=O)N2)CC3=CN=CC=C3)CC4=CC=CC=C4)C5CCSC5

DOS

IR

Vibrations