Geometry & MOs

Info

ID:	133522
PubChem CID:	51538851
Reduced:	IH3N3O3C7 (1)
Stoich.:	AB3C3D3E7 (1)
Weight, g/mol:	442.252824
ΔH_f, kcal/mol:	57.01
Dipole, Da:	1.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.008850
Charge, e:	1

Chem-info

IUPAC name:

methyl-(1-methylpiperidin-4-yl)-[[4-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]oxyphenyl]methyl]azanium

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1NN=C2[O-])I)[N+](=O)[O-]

DOS

IR

Vibrations