Geometry & MOs

Info

ID:	357985
PubChem CID:	127295499
Reduced:	ON6C20H32 (1)
Stoich.:	AB6C20D32 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-12.45
Dipole, Da:	3.23
IP(EA), eV:	-8.6(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-piperidin-1-ylpyrrolidin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations