Geometry & MOs

Info

ID:	137605
PubChem CID:	52232020
Reduced:	N7H21C29 (1)
Stoich.:	A7B21C29 (1)
Weight, g/mol:	325.236542
ΔH_f, kcal/mol:	231.97
Dipole, Da:	6.39
IP(EA), eV:	-8.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(3R)-1-ethyl-3-hydroxypiperidin-3-yl]methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N/N=C\C4=CN(N=C4C5=CN=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations