Geometry & MOs

Info

ID:	139201
PubChem CID:	52490784
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	346.249452
ΔH_f, kcal/mol:	-23.16
Dipole, Da:	6.6
IP(EA), eV:	-8.82(0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CN(C)CC3=C(ON=C3C)C

DOS

IR

Vibrations