Geometry & MOs

Info

ID:	174569
PubChem CID:	75787429
Reduced:	O2N5C22H34 (1)
Stoich.:	A2B5C22D34 (1)
Weight, g/mol:	409.169822
ΔH_f, kcal/mol:	-27.38
Dipole, Da:	7.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.950438
Charge, e:	1

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-1-yl)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CCCCC(CC)CNC(=O)C1CC[NH+](CC1)CC2=NN=C(O2)C3=CN=CC=C3

DOS

IR

Vibrations