Geometry & MOs

Info

ID:	135625
PubChem CID:	51905413
Reduced:	OSN4C18H28 (1)
Stoich.:	ABC4D18E28 (1)
Weight, g/mol:	361.296737
ΔH_f, kcal/mol:	2.44
Dipole, Da:	6.03
IP(EA), eV:	-8.49(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2R)-4-[(6-methylpyridin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol

Drug info:

PubChemData

Smile

CC1=C(N2C=CSC2=N1)CN3CCN([C@@H](C3)CCO)CC=C(C)C

DOS

IR

Vibrations