Geometry & MOs

Info

ID:	164763
PubChem CID:	74449279
Reduced:	ClN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	411.264768
ΔH_f, kcal/mol:	-18.74
Dipole, Da:	1.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.891030
Charge, e:	1

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3Cl)C[NH2+]CC4COCCO4

DOS

IR

Vibrations