Geometry & MOs

Info

ID:	165889
PubChem CID:	74610201
Reduced:	N4O4C22H23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	395.302216
ΔH_f, kcal/mol:	-48.02
Dipole, Da:	2.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.056174
Charge, e:	1

Chem-info

IUPAC name:

N-(2-methyl-1-pyrrolidin-1-ium-1-ylpropan-2-yl)-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NOC(=N2)C[N+]3=C4C=CC=CC4C(=O)N(C3=O)C(C)C

DOS

IR

Vibrations